Crystallography Open Database

Information card for entry 4317798

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Structure parameters

Formula	C19 H15 F3 N O2 P S
Calculated formula	C19 H15 F3 N O2 P S
SMILES	S(=O)(=O)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)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	10.61 ± 0.001 Å
b	11.414 ± 0.001 Å
c	8.6814 ± 0.0005 Å
α	92.255 ± 0.008°
β	100.704 ± 0.007°
γ	114.343 ± 0.009°
Cell volume	933.28 ± 0.15 Å³
Cell temperature	296.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	4317798.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.	4317798.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317798.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317798.cif
14079	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317798 via cif-deposit CGI script.	4317798.cif