Home The crystal structure of poly[bis(μ2-1,4-bi(1-imidazolyl)benzene-κ2N:N′)bis(μ2-4,4′-methylenebis(3-hydroxy-2-naphthoate)-κ2O:O′)cobalt(II)], C35H24CoN4O6
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The crystal structure of poly[bis(μ2-1,4-bi(1-imidazolyl)benzene-κ2N:N′)bis(μ2-4,4′-methylenebis(3-hydroxy-2-naphthoate)-κ2O:O′)cobalt(II)], C35H24CoN4O6

  • Ji Qi , Shu-Ying Wang and Jin-Feng Chu ORCID logo EMAIL logo
Published/Copyright: September 4, 2023
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 238 Issue 6

Abstract

C35H24CoN4O6, monoclinic, P21/n (no. 14), a = 11.444(2) Å, b = 11.648(2) Å, c = 21.478(4) Å, β = 97.05(3)°, V = 2841.5(10) Å3, Z = 4, R gt (F) = 0.0849, wRref(F2) = 0.1393, T = 153(2) K.

CCDC no.: 2289669

A part of the title crystal structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal: Purple block
Size: 0.10 × 0.08 × 0.06 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.66 mm−1
Scan mode: φ and ω
θmax, completeness: 25.0°, 99 %
N(hkl)measured, N(hkl)unique, Rint: 15,908, 4985, 0.071
Criterion for Iobs, N(hkl)gt: Iobs > 2σ(Iobs), 4250
N(param)refined: 415
Programs: CrystalClear [1], Olex2 [2], SHELX [3, 4], WinGX/ORTEP [5]
Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

Atom x y z Uiso*/Ueq
Co1 0.94307 (6) 0.56909 (6) 0.28832 (3) 0.0270 (2)
O1 0.8557 (3) 0.7148 (3) 0.29273 (17) 0.0357 (9)
O2 0.8421 (3) 0.6766 (3) 0.39323 (16) 0.0317 (8)
O3 0.6759 (3) 0.7662 (3) 0.44504 (15) 0.0301 (8)
H3 0.735006 0.728312 0.437537 0.036*
O4 0.3016 (3) 0.8293 (3) 0.34607 (16) 0.0323 (8)
H4 0.253893 0.785494 0.324848 0.039*
O5 0.1261 (3) 0.7060 (3) 0.30042 (16) 0.0360 (9)
O6 0.0908 (3) 0.5399 (3) 0.34381 (17) 0.0357 (9)
N1 0.8587 (3) 0.4310 (3) 0.32023 (18) 0.0276 (9)
N2 0.8301 (3) 0.2894 (3) 0.38500 (18) 0.0243 (9)
N3 0.8946 (3) −0.0081 (3) 0.59390 (18) 0.0266 (9)
N4 0.9256 (3) −0.0635 (4) 0.69297 (18) 0.0292 (10)
C1 0.8126 (4) 0.7332 (4) 0.3437 (2) 0.0292 (12)
C2 0.7215 (4) 0.8255 (4) 0.3436 (2) 0.0246 (11)
C3 0.7011 (4) 0.9008 (4) 0.2942 (2) 0.0276 (12)
H3A 0.749782 0.898284 0.261496 0.033*
C4 0.6082 (4) 0.9824 (4) 0.2914 (2) 0.0244 (11)
C5 0.5290 (4) 0.9790 (4) 0.3379 (2) 0.0227 (11)
C6 0.5504 (4) 0.9001 (4) 0.3891 (2) 0.0223 (11)
C7 0.6485 (4) 0.8310 (4) 0.3921 (2) 0.0241 (11)
C8 0.4341 (4) 1.0587 (4) 0.3309 (2) 0.0284 (11)
H8 0.377922 1.057282 0.359924 0.034*
C9 0.4220 (4) 1.1373 (4) 0.2833 (2) 0.0312 (12)
H9 0.357363 1.188980 0.279888 0.037*
C10 0.5034 (5) 1.1431 (4) 0.2393 (2) 0.0341 (13)
H10 0.495722 1.200221 0.207521 0.041*
C11 0.5932 (4) 1.0660 (4) 0.2430 (2) 0.0320 (12)
H11 0.646855 1.068030 0.212549 0.038*
C12 0.4720 (4) 0.8906 (4) 0.4410 (2) 0.0265 (11)
H12A 0.520853 0.902030 0.481890 0.032*
H12B 0.413070 0.953228 0.435910 0.032*
C13 0.4078 (4) 0.7771 (4) 0.4426 (2) 0.0229 (11)
C14 0.3211 (4) 0.7514 (4) 0.3941 (2) 0.0244 (11)
C15 0.2514 (4) 0.6506 (4) 0.3933 (2) 0.0253 (11)
C16 0.2708 (4) 0.5762 (4) 0.4422 (2) 0.0313 (12)
H16 0.224983 0.508108 0.441712 0.038*
C17 0.3566 (4) 0.5971 (4) 0.4936 (2) 0.0292 (12)
C18 0.426 (4) 0.6984 (4) 0.4945 (2) 0.0284 (12)
C19 0.5119 (5) 0.7164 (5) 0.5472 (2) 0.0321 (12)
H19 0.559574 0.783365 0.549212 0.039*
C20 0.5267 (5) 0.6386 (5) 0.5951 (3) 0.0410 (14)
H20 0.584983 0.651984 0.629776 0.049*
C21 0.4568 (6) 0.5387 (5) 0.5937 (3) 0.0487 (16)
H21 0.467320 0.485537 0.627433 0.058*
C22 0.3749 (5) 0.5192 (5) 0.5441 (3) 0.0403 (14)
H22 0.328506 0.451510 0.543246 0.048*
C23 0.1520 (4) 0.6319 (4) 0.3422 (2) 0.0293 (12)
C24 0.9033 (4) 0.3734 (4) 0.3704 (2) 0.0302 (12)
H24 0.977802 0.389066 0.393529 0.036*
C25 0.7496 (4) 0.3824 (4) 0.3019 (2) 0.0307 (12)
H25 0.695611 0.407128 0.267336 0.037*
C26 0.7314 (4) 0.2947 (5) 0.3404 (2) 0.0326 (13)
H26 0.664301 0.246019 0.337613 0.039*
C27 0.8500 (4) 0.2126 (4) 0.4373 (2) 0.0270 (11)
C28 0.9204 (4) 0.2441 (4) 0.4915 (2) 0.0308 (12)
H28 0.957696 0.317114 0.493846 0.037*
C29 0.9371 (4) 0.1712 (4) 0.5420 (2) 0.0312 (12)
H29 0.987050 0.193554 0.578634 0.037*
C30 0.8818 (4) 0.0652 (4) 0.5400 (2) 0.0242 (11)
C31 0.8105 (4) 0.0330 (4) 0.4863 (2) 0.0311 (12)
H31 0.771326 −0.039043 0.484564 0.037*
C32 0.7960 (4) 0.1063 (4) 0.4346 (2) 0.0321 (12)
H32 0.748547 0.083026 0.397342 0.039*
C33 0.9292 (4) 0.0237 (4) 0.6544 (2) 0.0284 (12)
H33 0.952836 0.099221 0.667033 0.034*
C34 0.8663 (5) −0.1236 (4) 0.5946 (2) 0.0341 (13)
H34 0.838415 −0.170148 0.559556 0.041*
C35 0.8867 (5) −0.1567 (5) 0.6555 (2) 0.0358 (13)
H35 0.875934 −0.232353 0.670349 0.043*

1 Source of material

All the reagents and solvents were used as obtained without further purification. CoCl2·6H2O (0.1 mmol, 23.8 mg), pamoic acid (H2PA) (0.05 mmol, 19.4 mg) and 1,4-bi(1-imidazolyl)benzene (BIB) (0.05 mmol, 10.5 mg) were completely dissolved in 12 mL DMF/H2O (1/2, v/v). The mixture was transferred to a 25 mL Teflon-lined stainless steel autoclave and was heated under autogenous pressure at 393 K for 3 days. After the reactant was slowly cooled to room temperature, purple block crystals of the title compound were obtained, yielding 39.8 % (based on the H2PA).

2 Experimental details

A suitable single crystal was mounted onto the end of a thin glass fiber using Fomblin oil. An absorption correction was applied [1]. The structure solution and the refinement were successfully carried out using SHELX program system [2], [3], [4]. H atoms were treated as riding, with C–H distances of 0.95 Å (aromatic); Uiso (H) = 1.2 Ueq. H atoms bonded to O atoms were initially found in different maps, and refined with constraint of O–H = 0.84 Å and Uiso (H) = 1.2 Ueq (O). The figure was created using the ORTEP-3 software [5].

3 Comment

In the past few decades, coordination polymer materials have been widely used in various fields such as catalysis, gas separation and storage, sensing, and proton conduction due to their unique crystalline porous nature, flexible tailoring characteristics, and extremely high surface area [6], [7], [8]. The design and synthesis of novel coordination polymer materials are beneficial for the research of fluorescent sensing materials [9]. In the course of our efforts to explore new cobalt-containing coordination polymers architectures using PA2− and BIB ligands, the title compound was successfully synthesized and determined by single-crystal X-ray analysis.

The asymmetric unit comprises one Co(II) cation, one PA2− anion and one BIB ligand. Each Co(II) center is four-coordinated with a distorted tetrahedral environment by two N atoms and two O atoms. The bond lengths and angles within structure are unexceptional and lie within the expected ranges. In details, the Co–N bond lengths are 2.034(4) and 2.038(4) Å. The Co–O bond lengths are 1.974(3) and 1.978(3) Å. The bond angles around Co(II) range from 93.84(15)° to 124.98(16)°. All bond lengths and angles are in the expected ranges [10–12].

For the PA2− ligand, the hydrogen atom of the phenolic hydroxy group is still retained, only one of the carboxylate oxygen atoms is coordinated with the Co(II) ion. Although there are no strong intermolecular hydrogen bonds in the structure, the uncoordinated hydroxyl oxygen atoms (O3 and O4) of the PA2− ligand are protonated and form strong intramolecular hydrogen bonds with the carboxyl oxygen atoms (O2 and O5) within the same molecule. The distances of O⋯H and the bond angles of O–H⋯O are 1.7484(36) Å and 1.7559(34) Å, 157.01(26)° and 160.881(262)°, respectively. The PA2− ligand bridge adjacent Co(II) cations to form chains through O atoms in one direction, whereas the BIB ligand bridge adjacent Co(II) cations to form chains through N atoms in the other direction. The chains are further extended and finally resulted in a 2D network.

Corresponding author: Jin-Feng Chu, State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, People’s Republic of China, E-mail:

  1. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

  2. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  3. Research funding: None declared.

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Received: 2023-07-11
Accepted: 2023-08-20
Published Online: 2023-09-04
Published in Print: 2023-12-15

© 2023 the author(s), published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

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  59. Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α]phenanthren-3-one O-(methacryloyl) oxime, C50H74N2O4
  60. Crystal structure of the hydrogen storage active phase La12Mg46LiMn
  61. The crystal structure of the salt: 4-((1,3-dioxoisoindolin-2-yl)carbamoyl)pyridine-1-ium 2-carboxybenzoate, C14H10N3O3·C8H5O4
  62. Crystal structure of (2-(2-pyridine)-benzimidazole-κ2 N,N′)-bis(1-phenylpyrazole-κ2 C,N)iridium(III) hexafluorophosphate, C30H22F6IrN7P
  63. Crystal structure of dichlorido-bis[2-(2,4-difluorophenyl)pyridine-κ1N]platinum(II), C22H14Cl2F4N2Pt
  64. Crystal structure of (5R,8R,9R,10R,12R,13R,14R, 17S,17Z)-2-((3-fluoropyridin-4-yl)methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H52FNO3
https://doi.org/10.1515/ncrs-2023-0318
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of bis(dimethylammonium) poly[(μ4-1,1′-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato))-κ6O1, N2:O2:O3:O1′,N2′]nickel (II)], C22H26N6NiO8
  4. Hydrothermal synthesis and crystal structure of catena-poly[diaqua-bis(μ2-4-((pyridin-4-ylmethyl)amino)benzoato-κ2N:O)cobalt(II)] – 4,4′-bipyridine – water (1/2/2)
  5. Crystal structure of (2S,3S,4S,5S, Z)-2,3,5,6-tetrakis(benzyloxy)-4-hydroxyhexanal oxime, C34H37NO6
  6. The crystal structure of hexakis(3-thiophenecarboxylato-κ2O,O″)-bis(1,10-phenanthroline-κ2N,N′) trimanganese(II), C54H34N4O12S6Mn3
  7. Crystal structure of catena-poly[(μ2-1,4-di(pyridin-4-yl)benzene-κ2N:N′)-(4-bromobenzoate-κ2O:O′)-(μ-2-bromobenzoate-κ2O,O′)nickel(II)] – water (2/1), C30H21Br2N2NiO4.5
  8. The crystal structure of poly[(μ3-1,3-phenylenedioxydiacetate-κ5O,O,O′,O″,O‴)-bis(4′-(4-(1H-imidazol-1-yl)phenyl)-4,2′:6′,4″-terpyridine-kN) cadmium(II)], C58H42CdN10O6
  9. The crystal structure of 5-chloro-6′-methyl-3-(4-(methylsulfonyl)phenyl)-[2,3′-bipyridin]-1′-ium 4-methylbenzenesulfonate
  10. Crystal structure of poly[(μ-benzoato)-(μ-cis-4–hydroxy-D-proline)lithium], C12H14LiNO5
  11. The crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ3N,O,O′)-copper(II)] monohydrate, C7H6NO6ICu
  12. The crystal structure of catena-[diaqua-(4-acetylphenoxyacetato-κ2O,O)-bis(4-acetylphenoxyacetato-κ3O,O:O)-dihydrate-lanthanum(III)]–4,4′-bipyridine (2/1), C35H35NO14La
  13. The crystal structure of catena-poly[(4-iodopyridine-2,6-dicarboxylato-κ4 O,N,O′,O′′)(4-imidazol-1-yl-pyridine-κN)copper(II)], C15H9N4O4ICu
  14. Crystal structure of polybis(μ 4-3,5-dicarboxylatopyrazol-1-yl)-bis(N,N-dimethylformamide)tri-copper(II)–acetonitrile (1/2), C20H22Cu3N8O10
  15. Crystal structure of poly[(μ2-5-hydroxy-isophthalato-κ4O,O′:O″,O‴)-(μ2-1,5-bis(imidazol-2-methyl)pentane-κ2N:N′)cadmium(II)], C21H24CdN4O5
  16. The crystal structure of poly[bis(μ2-1,4-bi(1-imidazolyl)benzene-κ2N:N′)bis(μ2-4,4′-methylenebis(3-hydroxy-2-naphthoate)-κ2O:O′)cobalt(II)], C35H24CoN4O6
  17. The crystal structure of a cobalt-vanadium-oxido hydrate
  18. The crystal structure of catena-poly[(μ 2-2H-1,2,3-triazole-4,5-dicarboxylato-κ 2 O, O′)-(μ 2-1,3-bis((1H-imidazol-1-yl)methyl)benzene-κ 2 N,N′) zinc(II)], C18H15N7O4Zn
  19. Crystal structure of poly[diaqua-(bis(m2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2N,N′-manganese] dichloride, C28H32MnN8O2Cl2
  20. The crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino [3,2-a]isoquinolin-7-ium (E)-3-(4-nitrophenyl)acrylate pentahydrate, C29H34N2O13
  21. Crystal structure of poly[(μ6-ammoniotris(methylene))tris(hydrogen phosphonato)cadmium(II)], C3H10CdNO9P3
  22. Crystal structure of Zn2[(1,1′-(hexane-1,6-diyl)bis(3-(pyridin-3-yl)urea))·(H2O)2·(DMF)2·(SO4)2], C24H50N8O18S2Zn2
  23. The crystal structure of 2-anilino-1,4-naphthoquinone, C10H11NO2
  24. Crystal structure of (E)-2-(2-(4-(diethylamino)styryl)-1-ethyl-1,4-dihydroquinolin-4-yl) malononitrile, C26H26N4
  25. Crystal structure of ethyl 2-((2,6-dichloro-4-(cyanomethyl)phenyl) amino)benzoate, C17H14Cl2N2O2
  26. Synthesis and crystal structure of 2-(3-oxo-3-phenylpropyl)isoindoline-1,3-dione, C17H13NO3
  27. The crystal structure of bis(acetonitrile-κ1N)tetrakis(μ2-2,6-difluorobenzoato-κ2O:O′)rhodium(II) (Rh–Rh), C32H18F8O8N2Rh2
  28. The crystal structure of a new polymorph of 6-hydroxy-2-naphthoic acid, C11H8O3
  29. The crystal structure of [(8-carboxymethoxy-quinoline-2-carboxylate-κ4N,O,O,O)-2,2′-bipyridine-κ2N-copper(II)] tetrahydrate, C22H23N3O9Cu
  30. The crystal structure of ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(2-oxo-2H-chromen-6-yl)-2,5-dihydro-1H-pyrrole-3-carboxylate, C23H19NO7
  31. Crystal structure of 7-hydroxy-3,4-dihydronaphthalen-1(2H)-one, C10H10O2
  32. Crystal structure of bis(tetrapropylammonium) dodecacarbonyltetratelluridotetraferrate(2-), (Pr4N)2[Fe4Te4(CO)12]
  33. The crystal structure of poly[bis(μ2−3−aminopyridine−4−carboxylato−κ2N:O)Zinc(II)], [Zn(C6H5N2O2)2] n
  34. The crystal structure of methyl 5-nitro-2-(tosyloxy)benzoate, C15H13NO7S
  35. The crystal structure of 18-crown-6 ― tetraaqua-dichlorido-di-μ2-chloridodicopper(II) (2/1), C12H32O10Cu2Cl4
  36. Crystal structure of 6,6a,7,8,9,10-hexahydro-5H-pyrazino [2,3-e]pyrido[1,2-a]pyrazine, C10H14N4
  37. Crystal structure of catena-poly-{diaqua-bis[μ-(((4-chlorophenyl)sulfonyl)glycinato-κO)](μ2-4, 4′-bipyridine-κ2N:N′)cobalt(II)} dihydrate, C26H30Cl2CoN4O12S2
  38. Crystal structure of bis{N′-[1,3-diphenylprop-2-en-1-ylidene]-N-phenylcarbamohydrazonothioato}zinc(II), C44H36N6S2Zn
  39. Crystal structure of tetraaqua-bis(((4-chlorophenyl)sulfonyl)glycinato-κO)cobalt(II) dihydrate, C16H26Cl2CoN2O14S2
  40. Crystal structure of 2-(5-phenyl-1-(quinolin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol, C24H19N3O
  41. Crystal structure of 2-((2-fluoro-4-(trifluoromethyl)phenyl)(hydroxy)methyl)-7-methoxy-3,4-dihydronaphthalen-1((2H))-one, C19H16F4O3
  42. Crystal structure of 2-amino-4-(2-fluoro-3-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O
  43. Crystal structure of (2-phenylimino methylquinoline-κ 2 N,N′)-bis(1–phenylpyrazole-κ 2 C,N)-iridium(III) hexafluorophosphate, C34H26F6IrN6P
  44. Crystal structure of (3-hydroxy-4-methoxyphenyl)(pyrrolidin-1-yl)methanone, C12H15NO3
  45. The crystal structure of bis(trimethylsulfoxonium) catena-poly[µ2-hexabromido-indium(III)sodium(I)] C6H18O2S2NaInBr6
  46. Crystal structure of N-cyclopropyl-3-hydroxy-4-methoxybenzamide, C11H13NO3
  47. The crystal structure of (bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″ )-(dihydrogen L-malate-κ2O,O ′)copper(II) perchlorate dihydrate, CuC20H24ClN5O12
  48. Crystal structure of (1E,1′E)-4,4′-(9,9-diethyl-9H-fluorene-2,7-diyl)dibenzaldehyde dioxime, C31H28N2O2
  49. Crystal structure of diethyl 1,9-bis(4-fluorophenyl)-4,6-diphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta [b]pyridine-3,7(2H)-dicarboxylate, C40H36F2N2O4
  50. Crystal structure of bis(benzene-1 carboxylato-O 3,5-carboxyl-κ1O)-[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) ─ benzene-1,3,5-tricarboxylic acid ─ water (1/2/4), C52H66N4NiO28
  51. Crystal structure of 1,4-dibromo-2,5-bis(2-methoxyethoxy)benzene-1,4-diol, C12H16Br2O4
  52. Crystal structure of dicarbonyl[N,N′-(1,2-dimethyl-1,2-ethanediylidene)bis[2,6-bis(1-methylethyl)benzenamine]-N,N′]nickel(0), C30H40N2NiO2
  53. Crystal structure of 1,4-dibromo-2,5-bis(prop-2-yn-1-yloxy)benzene, C12H8Br2O2
  54. Crystal structure of O-(3-(benzo[d]thiazol-2-yl)naphthalen-2-yl) O-phenyl carbonothioate, C24H15NO2S2
  55. The crystal structure of (E)-4-fluoro-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2
  56. Crystal structure of (E)-1-(benzo[d]thiazol-2-yl)-N-(4,5-dihydropyren-2-yl)methanimine, C24H16N2S
  57. Crystal structure of 3-((4-bromophenyl)thio)-1H-indole, C14H10BrNS
  58. Synthesis and crystal structure of 1-((7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carboxylate monohydrate, C22H22N2O9
  59. Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α]phenanthren-3-one O-(methacryloyl) oxime, C50H74N2O4
  60. Crystal structure of the hydrogen storage active phase La12Mg46LiMn
  61. The crystal structure of the salt: 4-((1,3-dioxoisoindolin-2-yl)carbamoyl)pyridine-1-ium 2-carboxybenzoate, C14H10N3O3·C8H5O4
  62. Crystal structure of (2-(2-pyridine)-benzimidazole-κ2 N,N′)-bis(1-phenylpyrazole-κ2 C,N)iridium(III) hexafluorophosphate, C30H22F6IrN7P
  63. Crystal structure of dichlorido-bis[2-(2,4-difluorophenyl)pyridine-κ1N]platinum(II), C22H14Cl2F4N2Pt
  64. Crystal structure of (5R,8R,9R,10R,12R,13R,14R, 17S,17Z)-2-((3-fluoropyridin-4-yl)methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H52FNO3
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