Crystallography Open Database

Information card for entry 7203979

7203978 << 7203979 >> 7203980

Preview

Coordinates	7203979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cl O4 S16
Calculated formula	C24 H24 Cl O4 S16
Title of publication	Syntheses of new electron donors with hydroxymethyl groups and studies on their cation-radical salts
Authors of publication	Li, Hongxiang; Zhang, Deqing; Zhang, Bin; Yao, Youxin; Xu, Wei; Zhu, Daoben; Wang, Zhemin
Journal of publication	Journal of Materials Chemistry
Year of publication	2000
Journal volume	10
Journal issue	9
Pages of publication	2063
a	8.9908 ± 0.0005 Å
b	13.2399 ± 0.0005 Å
c	15.0602 ± 0.001 Å
α	81.003 ± 0.004°
β	85.747 ± 0.003°
γ	70.911 ± 0.003°
Cell volume	1672.79 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1107
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.2
Weighted residual factors for all reflections included in the refinement	0.2093
Goodness-of-fit parameter for all reflections included in the refinement	1.239
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
180370 (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 7/20/39.	7203979.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203979.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203979.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7203979.cif