Improving Confidence in Crystal Structure Solutions Using NMR Crystallography: The Case of β-Piroxicam-Reference-Cited by-同舟云学术

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Improving Confidence in Crystal Structure Solutions Using NMR Crystallography: The Case of β-Piroxicam

Published:2018-04-10 Issue:6 Volume:18 Page:3339-3351
ISSN:1528-7483
Container-title:Crystal Growth & Design
language:en
Short-container-title:Crystal Growth & Design

Author:

Tatton Andrew S.¹^ORCID,Blade Helen²,Brown Steven P.³^ORCID,Hodgkinson Paul⁴,Hughes Leslie P.²,Lill Sten O. Nilsson⁵,Yates Jonathan R.¹

Affiliation:

1. Department of Materials, University of Oxford, Oxford OX1 3PH, U.K.

2. Pharmaceutical Development, AstraZeneca, Macclesfield SK10 2NA, U.K.

3. Department of Physics, University of Warwick, Coventry CV4 7AL, U.K.

4. Department of Chemistry, Durham University, Durham DH1 3LE, U.K.

5. Early Product Development, Pharmaceutical Sciences, IMED Biotech Unit, AstraZeneca Gothenburg, Mölndal SE-431 83, Sweden

Funder

Engineering and Physical Sciences Research Council

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.8b00022

Reference93 articles.

1. The integration of solid-form informatics into solid-form selection

2. Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2′-deoxyguanosine structural motif

3. On enantiomorph-polarity estimation

4. Reporting and evaluating absolute-structure and absolute-configuration determinations

5. R factors in Rietveld analysis: How good is good enough?

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