Crystallography Open Database

Information card for entry 7052875

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Structure parameters

Formula	C37 H28 N4 O
Calculated formula	C37 H28 N4 O
SMILES	Oc1c(cc(cc1c1nc(c([nH]1)c1ccccc1)c1ccccc1)C)c1[nH]c(c(n1)c1ccccc1)c1ccccc1
Title of publication	Electronic/substituents influence on imidazole ring donor–acceptor capacities using 1H-imidazo[4,5-f][1,10]phenanthroline frameworks
Authors of publication	Eseola, Abiodun O.; Adepitan, Oluseyi; Görls, Helmar; Plass, Winfried
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	4
Pages of publication	891
a	14.181 ± 0.003 Å
b	12.54 ± 0.003 Å
c	16.598 ± 0.003 Å
α	90°
β	107.48 ± 0.03°
γ	90°
Cell volume	2815.3 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1106
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1759
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7052875.cif
180082	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28.	7052875.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052875.cif
52201	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7052874, 7052875 via cif-deposit CGI script.	7052875.cif