Crystallography Open Database

Information card for entry 4115750

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Structure parameters

Formula	C20 H15 Cl3 N O P
Calculated formula	C20 H15 Cl3 N O P
SMILES	ClC(Cl)(Cl)C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series
Authors of publication	Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	10954 - 10965
a	9.469 ± 0.003 Å
b	19.063 ± 0.004 Å
c	10.976 ± 0.004 Å
α	90°
β	94.9 ± 0.03°
γ	90°
Cell volume	1974 ± 1 Å³
Cell temperature	298.7 K
Number of distinct elements	6
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	0.0428
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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.	4115750.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.	4115750.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115750.cif
69474	2012-12-18	cif/ Adding structures of 4115750 via cif-deposit CGI script.	4115750.cif