Crystallography Open Database

Information card for entry 1520360

1520359 << 1520360 >> 1520361

Preview

Coordinates	1520360.cif
External links	PubChem

Structure parameters

Formula	C24 H16 N2 O4
Calculated formula	C24 H16 N2 O4
Title of publication	C24H16N2O4
Authors of publication	Holliman, Peter J.; Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	667
a	22.6513 ± 0.0008 Å
b	7.5907 ± 0.0005 Å
c	22.7311 ± 0.0014 Å
α	90°
β	101.11 ± 0.003°
γ	90°
Cell volume	3835.1 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1392
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1921
Weighted residual factors for all reflections included in the refinement	0.2287
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520360.cif
176428	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.	1520360.cif
138363	2015-06-05	cif/ Adding structures of 1520360 via cif-deposit CGI script.	1520360.cif