A crystal structure prediction enigma solved: the gallic acid monohydrate system – surprises at 10 K-Reference-Cited by-同舟云学术

A crystal structure prediction enigma solved: the gallic acid monohydrate system – surprises at 10 K

Published:2017 Issue:5 Volume:53 Page:925-928
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Hoser A. A.¹²³⁴⁵,Sovago I.¹⁶⁷⁸,Lanza A.⁹¹⁰¹¹¹²,Madsen A. Ø.¹⁶⁷⁸^ORCID

Affiliation:

1. Department of Chemistry

2. Biological and Chemical Research Centre

3. University of Warsaw

4. Warsaw

5. Poland

6. University of Copenhagen

7. DK-2100 Copenhagen

8. Denmark

9. Department of Chemistry and Biochemistry

10. University of Bern

11. Bern

12. Switzerland

Abstract

The unpredictability of polymorph IV of gallic acid monohydrate is explained by high-resolution low-temperature diffraction measurements.

Funder

Carlsbergfondet

Villum Fonden

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CC/C6CC06799A

Reference22 articles.

1. Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

2. A Major Advance in Crystal Structure Prediction

3. Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test

4. From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape

5. Software predicts slew of fiendish crystal structures

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