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Some aspects of information theory and phase problem: Effect of heavy atoms on information content in P[unk]

Published/Copyright: August 25, 2010
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Zeitschrift für Kristallographie
From the journal Zeitschrift für Kristallographie Volume 188 Issue 1-2

Abstract

The effect of heavy atoms in finding phases of structure factors has been discussed using information theoretic approach in P[unk]. In the present paper, an expression for measuring information content has been derived taking into account the phase and magnitude of the heavy-atom part of the structure. As a test example, a known structure of a derivative of β-lactam has been used and it has been shown that the value of information content gives an indication that the phase prediction is more reliable when information from heavy atom part is taken into consideration.

Published Online: 2010-08-25
Published in Print: 1989

Articles in the same Issue

  1. Structure of 2,10-dibromo-3-chloro-7R,8S-epoxychamigrene
  2. Structural determination of a lead-lithium monophosphate, LiPbPO4
  3. Reciprocal lattice scan modes in single crystal diffractometry: a reexamination for cases of mineralogical interest
  4. Experimental charge density in polythionate anions: II. X-ray study of the electron density distribution in potassium tetrathionate, K2S4O6
  5. An uncommon Cu[2+4]O6 coordination polyhedron in the crystal structure of KCu3(OH)2[(AsO4)H(AsO4)] (with a comparison to related structure types)
  6. Some aspects of information theory and phase problem: Effect of heavy atoms on information content in P[unk]
  7. The crystal structure of hexaaquacopper(II) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cuprate(II)
  8. Crystal and molecular structure of an isostere of purine ring system: 7-benzylamino-2-methylmercaptothiazolo [5,4-d] pyrimidine
  9. A novel form of molybdenum (V) phosphate: δ-KMo2P3O13
  10. Structure cristalline et moléculaire du camphosulfonate de l'α-(tétrahydro-4,5,6,7 thiéno (3,2-c) pyridyl-5) (chloro-2 phényl)-acétate de méthyle, C26H32NO6S2Cl. Configuration absolue
  11. Verfeinerung der Kristallstruktur von Holmquistit vom Brandrücken/Weinebene, Koralpe, Österreich
  12. Structural relationships of zeolite frameworks: “5-ring zeolites”
  13. Symmetry restrictions on minimal surfaces related by the Bonnet-transformation
  14. Crystal and molecular structure of N-p-fluorobenzoyl-l-valine
  15. Thermal decay of laser-induced long living metastable electronic states in Na2[Fe(CN)5NO] · 2H2O single crystals
  16. Crystal structures of three substituted ammonium hexachlororhenates(IV)
https://doi.org/10.1524/zkri.1989.188.1-2.57

Articles in the same Issue

  1. Structure of 2,10-dibromo-3-chloro-7R,8S-epoxychamigrene
  2. Structural determination of a lead-lithium monophosphate, LiPbPO4
  3. Reciprocal lattice scan modes in single crystal diffractometry: a reexamination for cases of mineralogical interest
  4. Experimental charge density in polythionate anions: II. X-ray study of the electron density distribution in potassium tetrathionate, K2S4O6
  5. An uncommon Cu[2+4]O6 coordination polyhedron in the crystal structure of KCu3(OH)2[(AsO4)H(AsO4)] (with a comparison to related structure types)
  6. Some aspects of information theory and phase problem: Effect of heavy atoms on information content in P[unk]
  7. The crystal structure of hexaaquacopper(II) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cuprate(II)
  8. Crystal and molecular structure of an isostere of purine ring system: 7-benzylamino-2-methylmercaptothiazolo [5,4-d] pyrimidine
  9. A novel form of molybdenum (V) phosphate: δ-KMo2P3O13
  10. Structure cristalline et moléculaire du camphosulfonate de l'α-(tétrahydro-4,5,6,7 thiéno (3,2-c) pyridyl-5) (chloro-2 phényl)-acétate de méthyle, C26H32NO6S2Cl. Configuration absolue
  11. Verfeinerung der Kristallstruktur von Holmquistit vom Brandrücken/Weinebene, Koralpe, Österreich
  12. Structural relationships of zeolite frameworks: “5-ring zeolites”
  13. Symmetry restrictions on minimal surfaces related by the Bonnet-transformation
  14. Crystal and molecular structure of N-p-fluorobenzoyl-l-valine
  15. Thermal decay of laser-induced long living metastable electronic states in Na2[Fe(CN)5NO] · 2H2O single crystals
  16. Crystal structures of three substituted ammonium hexachlororhenates(IV)
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