Crystallography Open Database

Information card for entry 7218942

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Structure parameters

Formula	C24 H20 N6 O4
Calculated formula	C24 H20 N6 O4
SMILES	O=C1N(/N=C/c2ccncc2)C(=O)c2c3c1ccc(N/N=C/c1ccncc1)c3ccc2.O.O
Title of publication	Different interaction between metal electrode and organic layer and their different electrical bistability performances
Authors of publication	Ma, Yong; Gu, Pei-Yang; Zhou, feng; Dong, Huilong; Li, Youyong; Xu, Qingfeng; Lu, Jian-Mei; Ma, Wanli
Journal of publication	RSC Adv.
Year of publication	2014
a	4.6051 ± 0.001 Å
b	13.887 ± 0.003 Å
c	33.216 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2124.2 ± 0.8 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7218942.cif
180520	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89.	7218942.cif
127975	2014-11-28	cif/ Adding structures of 7218942 via cif-deposit CGI script.	7218942.cif