Crystallography Open Database

Information card for entry 1520149

1520148 << 1520149 >> 1520150

Preview

Coordinates	1520149.cif

Structure parameters

Formula	C24 H23 N O6
Calculated formula	C24 H23 N O6
Title of publication	C24H23NO6
Authors of publication	McDonald, E.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	593
a	8.2973 ± 0.0003 Å
b	13.8488 ± 0.0005 Å
c	18.2558 ± 0.0005 Å
α	98.021 ± 0.002°
β	90.671 ± 0.002°
γ	91.166 ± 0.002°
Cell volume	2076.55 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1586
Residual factor for significantly intense reflections	0.1252
Weighted residual factors for significantly intense reflections	0.3355
Weighted residual factors for all reflections included in the refinement	0.3725
Goodness-of-fit parameter for all reflections included in the refinement	1.445
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.	1520149.cif
137590	2015-06-01	cif/ Adding structures of 1520149 via cif-deposit CGI script.	1520149.cif