Crystallography Open Database

Information card for entry 1519292

1519291 << 1519292 >> 1519293

Preview

Coordinates	1519292.cif
External links	PubChem

Structure parameters

Formula	C45 H31.5 N7.5 O9
Calculated formula	C45 H31.5 N7.5 O9
Title of publication	N,N'-bis(4-Nitrophenyl)-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide
Authors of publication	Light, Mark E.; Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	120
a	32.285 ± 0.002 Å
b	11.8982 ± 0.0006 Å
c	19.8475 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	7624.1 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.3726
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519292.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1519292.cif
135642	2015-05-06	cif/ Adding structures of 1519292 via cif-deposit CGI script.	1519292.cif