Crystallography Open Database

Information card for entry 1520419

1520418 << 1520419 >> 1520420

Preview

Coordinates	1520419.cif

Structure parameters

Formula	C13 H15 Cl N2 O2 Si
Calculated formula	C13 H15 Cl N2 O2 Si
SMILES	c1(=O)ccccn1C1n2ccccc2=[O][Si]1(C)(C)Cl
Title of publication	C13H15ClN2O2Si
Authors of publication	Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	651
a	11.8719 ± 0.0003 Å
b	15.0801 ± 0.0003 Å
c	15.5429 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2782.64 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520419.cif
138913	2015-06-08	cif/ Adding structures of 1520419 via cif-deposit CGI script.	1520419.cif