Crystallography Open Database

Information card for entry 1520267

1520266 << 1520267 >> 1520268

Preview

Coordinates	1520267.cif

Structure parameters

Formula	C21 H20 F N2 O3
Calculated formula	C21 H20 F N2 O3
Title of publication	C21H20FN2O3
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Blagden, Nick; Berry, David
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	409
a	27.4599 ± 0.0012 Å
b	5.6654 ± 0.0002 Å
c	11.4275 ± 0.0005 Å
α	90°
β	92.25 ± 0.002°
γ	90°
Cell volume	1776.42 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1520267.cif
137897	2015-06-04	cif/ Adding structures of 1520267 via cif-deposit CGI script.	1520267.cif