Journal article

Absolute structure determination using CRYSTALS

Abstract:: A study of post-refinement absolute-structure determination using previously published data was carried out in the software CRYSTALS. We show that absolute-structure determination may be carried out optimally using the analyses available in CRYSTALS, and that it is not necessary to have the separate procedures absolute-structure determination and no interest in absolute structure as proposed in Flack, H.D. (2014). Chimia, 68, 26-30.

Publication status:: Published

Peer review status:: Peer reviewed

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APA Style

Cooper, R., Watkin, R., & Flack, H. (2016). Absolute structure determination using CRYSTALS. Acta Crystallographica Section C: Structural Chemistry, 72(4), 261–267.

MLA Style

Cooper, R, et al. “Absolute Structure Determination Using CRYSTALS.” Acta Crystallographica Section C: Structural Chemistry, vol. 72, no. 4, 2016, pp. 261–67.

Chicago Style

Cooper, R, R Watkin, and H Flack. 2016. “Absolute Structure Determination Using CRYSTALS.” Acta Crystallographica Section C: Structural Chemistry 72 (4): 261–67.
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Files:: Cooper et al, Absolute structure determination using CRYSTALS.pdf

(Preview, Accepted manuscript, pdf, 641.5KB, Terms of use)

Publisher copy:: 10.1107/S2053229616003570

Authors

+ Cooper, R More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Inorganic Chemistry
Role:: Author

+ Watkin, R More by this author

Role:: Author

+ Flack, H More by this author

Role:: Author

Publisher:: International Union of Crystallography
Journal:: Acta Crystallographica Section C: Structural Chemistry More from this journal
Volume:: 72
Issue:: 4
Pages:: 261-267
Publication date:: 2016-03-01
Acceptance date:: 2016-02-19
DOI:: 10.1107/S2053229616003570
EISSN:: 2053-2296

Keywords:: absolute structure

flack parameter

least-squares refinement
Pubs id:: pubs:611454
UUID:: uuid:f589e02a-5f2f-4a03-a08c-f9dbfaa33944
Local pid:: pubs:611454
Source identifiers:: 611454
Deposit date:: 2016-03-23
ARK identifier:: ark:/29072/ora_f589e02a5f2f4a03a08cf9dbfaa33944

Terms of use

Copyright holder:: International Union of Crystallography
Copyright date:: 2016
Notes:: © 2016 International Union of Crystallography. This is the publisher's version of the article. The final version is available online from the International Union of Crystallography at:
https://doi.org/10.1107/S2053229616003570

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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