Crystallography Open Database

Information card for entry 7201789

7201788 << 7201789 >> 7201790

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Coordinates	7201789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 N O7 S
Calculated formula	C21 H29 N O7 S
Title of publication	Preferential crystallization (AS3PC mode) of modafinic acid: an example of productivity enhancement by addition of a non-chiral base
Authors of publication	Wermester, Nicolas; Lambert, Olivier; Coquerel, Gérard
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	6
Pages of publication	724
a	5.4997 ± 0.0004 Å
b	13.5883 ± 0.0009 Å
c	30.125 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2251.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	0.877
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180348 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/17.	7201789.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201789.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201789.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7201789.cif