Crystallography Open Database

Information card for entry 4317799

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Structure parameters

Formula	C22 H21 F3 N O2 P S
Calculated formula	C22 H21 F3 N O2 P S
SMILES	S(=O)(=O)(N=P(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)C(F)(F)F
Title of publication	Synthesis and Structural Comparison of Triaryl(sulfonylimino)pnictoranes
Authors of publication	Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1940 - 1948
a	10.419 ± 0.002 Å
b	21.244 ± 0.002 Å
c	10.697 ± 0.002 Å
α	90°
β	112.56 ± 0.01°
γ	90°
Cell volume	2186.5 ± 0.6 Å³
Cell temperature	296.7 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4317799.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4317799.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317799.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317799.cif
14080	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317799 via cif-deposit CGI script.	4317799.cif