Crystallography Open Database

Information card for entry 1519890

1519889 << 1519890 >> 1519891

Preview

Coordinates	1519890.cif

Structure parameters

Formula	C8 H12 Cl F N O2 Si
Calculated formula	C9 H13 Cl F N O Si
SMILES	[Si]1([O]=c2n(C1)c(ccc2)C)(CCl)(F)C
Title of publication	C8H12ClFNO2Si
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Taylor, P. G.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	608
a	7.2306 ± 0.0005 Å
b	9.4023 ± 0.0008 Å
c	9.5351 ± 0.0008 Å
α	119.096 ± 0.004°
β	96.715 ± 0.005°
γ	98.833 ± 0.005°
Cell volume	545.76 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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 all reflections	0.1003
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.221
Weighted residual factors for all reflections included in the refinement	0.2356
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	1519890.cif
137223	2015-05-22	cif/ Adding structures of 1519890 via cif-deposit CGI script.	1519890.cif