Same or different – that is the question: identification of crystal forms from crystal structure data

An analysis of the CSD with structural comparison tools shows that differentiating between polymorphism and redeterminations is not always straight forward and requires of complementary tools at the hands of an expert practitioner.

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A total synthesis of phomactin AElectronic supplementary information (ESI) available: X-ray crystal structure data for the bis-epoxide 17. See http://www.rsc.org/suppdata/cc/b2/b206041h/

Chemical Communications ◽

10.1039/b206041h ◽

2002 ◽

pp. 1736-1737 ◽

Cited By ~ 39

Author(s):

William P. D. Goldring ◽

Gerald Pattenden

Keyword(s):

Crystal Structure ◽

Total Synthesis ◽

Structure Data ◽

Crystal Structure Data ◽

Supplementary Information ◽

X Ray

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Using small-molecule crystal structure data to improve drug discovery

Acta Crystallographica Section A Foundations and Advances ◽

10.1107/s0108767318099956 ◽

2018 ◽

Vol 74 (a1) ◽

pp. a4-a4

Author(s):

Paul C. Sanschagrin

Keyword(s):

Crystal Structure ◽

Drug Discovery ◽

Small Molecule ◽

Structure Data ◽

Crystal Structure Data

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A survey of existing crystal structure data

Journal of the Franklin Institute ◽

10.1016/s0016-0032(23)90224-3 ◽

1923 ◽

Vol 195 (2) ◽

pp. 183-187 ◽

Cited By ~ 3

Author(s):

Ralph W.G. Wyckoff

Keyword(s):

Crystal Structure ◽

Structure Data ◽

Crystal Structure Data

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Stereochemistry of Reaction Paths as Determined from Crystal Structure Data-A Relationship between Structure and Energy

Angewandte Chemie International Edition in English ◽

10.1002/anie.197504601 ◽

1975 ◽

Vol 14 (7) ◽

pp. 460-473 ◽

Cited By ~ 170

Author(s):

Hans-Beat Bürgi

Keyword(s):

Crystal Structure ◽

Structure Data ◽

Crystal Structure Data ◽

Reaction Paths

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Artificial neural network modeling of anisotropic hyperelastic materials based on computational crystal structure data

AIAA Scitech 2020 Forum ◽

10.2514/6.2020-0397 ◽

2020 ◽

Cited By ~ 1

Author(s):

Sunyoung Im ◽

Wonbae Kim ◽

Hyungjun Kim ◽

Maenghyo Cho

Keyword(s):

Neural Network ◽

Crystal Structure ◽

Artificial Neural Network ◽

Structure Data ◽

Crystal Structure Data ◽

Network Modeling ◽

Neural Network Modeling ◽

Artificial Neural Network Modeling ◽

Hyperelastic Materials ◽

Artificial Neural

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1,3-Dimethylimidazolium-2-carboxylate: the unexpected synthesis of an ionic liquid precursor and carbene-CO2 adductElectronic supplementary information (ESI) available: experimental data for 1,3-dimethylimidazolium-2-carboxylate. Supplemental crystal structure data. ORTEP, hydrogen bonding and packing diagrams. See http://www.rsc.org./suppdata/cc/b2/b211519k/

Chemical Communications ◽

10.1039/b211519k ◽

2002 ◽

pp. 28-29 ◽

Cited By ~ 199

Author(s):

John D. Holbrey ◽

W. Matthew Reichert ◽

Igor Tkatchenko ◽

Ezzedine Bouajila ◽

Olaf Walter ◽

...

Keyword(s):

Crystal Structure ◽

Experimental Data ◽

Ionic Liquid ◽

Hydrogen Bonding ◽

Structure Data ◽

Crystal Structure Data ◽

Supplementary Information ◽

Liquid Precursor

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Crystal-chemical comparisons of zeolites based on standardized crystal structure data

Recent Advances in the Science and Technology of Zeolites and Related Materials Part B, Proceedings of the 14th International Zeolite Conference - Studies in Surface Science and Catalysis ◽

10.1016/s0167-2991(04)80636-0 ◽

2004 ◽

pp. 1254-1260 ◽

Cited By ~ 4

Author(s):

W.H. Baur ◽

R.X. Fischer

Keyword(s):

Crystal Structure ◽

Structure Data ◽

Crystal Structure Data ◽

Crystal Chemical

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Intramolecular photochemical hydrogen abstraction reactions in the solid state. Correlation with x-ray crystal structure data

Journal of the American Chemical Society ◽

10.1021/ja00435a052 ◽

1976 ◽

Vol 98 (19) ◽

pp. 6049-6051 ◽

Cited By ~ 6

Author(s):

Alice A. Dzakpasu ◽

Simon E. V. Phillips ◽

John R. Scheffer ◽

James Trotter

Keyword(s):

Crystal Structure ◽

Solid State ◽

Structure Data ◽

Crystal Structure Data ◽

Hydrogen Abstraction ◽

State Correlation ◽

X Ray

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Conformational similarity among amino acid residues: 1. Analysis of protein crystal structure data

International Journal of Biological Macromolecules ◽

10.1016/0141-8130(81)90059-3 ◽

1981 ◽

Vol 3 (3) ◽

pp. 171-178 ◽

Cited By ~ 11

Author(s):

A.S. Kolaskar ◽

V. Ramabrahman

Keyword(s):

Crystal Structure ◽

Amino Acid ◽

Structure Data ◽

Crystal Structure Data ◽

Protein Crystal ◽

Amino Acid Residues ◽

Protein Crystal Structure

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International Union of Crystallography Commission on Crystal Structure Data List of 1958 publications containing new data on crystal structures

Journal of Structural Chemistry ◽

10.1007/bf00745392 ◽

1962 ◽

Vol 3 (1) ◽

pp. 107-107

Keyword(s):

Crystal Structure ◽

Crystal Structures ◽

Structure Data ◽

Crystal Structure Data ◽

International Union

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