Crystallography Open Database

Information card for entry 7153809

Preview

Coordinates	7153809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cl N O2
Calculated formula	C16 H10 Cl N O2
SMILES	Clc1c2C(=C\C(=O)c3ccccc3)\C(=O)Nc2ccc1
Title of publication	Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.
Authors of publication	Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	20
Pages of publication	3201 - 3210
a	5.3737 ± 0.0008 Å
b	10.8985 ± 0.0017 Å
c	11.5417 ± 0.0018 Å
α	98.268 ± 0.005°
β	99.008 ± 0.005°
γ	100.544 ± 0.005°
Cell volume	645.9 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0602
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153809.cif
112866	2014-05-05	cif/ Adding structures of 7153806, 7153807, 7153808, 7153809, 7153810 via cif-deposit CGI script.	7153809.cif