Crystallography Open Database

Information card for entry 7233551

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Structure parameters

Formula	C15 H17 N5
Calculated formula	C15 H17 N5
SMILES	N(=C\c1ccc(N(CC)CC)cc1)/C(=C(\N)C#N)C#N
Title of publication	Defect-sensitive crystals based on diaminomaleonitrile-functionalized Schiff base with aggregation-enhanced emission
Authors of publication	Tianyu Han; Yuning Hong; Ni Xie; Sijie Chen; Na Zhao; Engui Zhao; Jacky W. Y. Lam; Herman H. Y. Sung; Yuping Dong; Bin Tong; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2012
Journal volume	1
Pages of publication	7314 - 7320
a	9.416 ± 0.0002 Å
b	12.7884 ± 0.0002 Å
c	12.9807 ± 0.0004 Å
α	90°
β	108.879 ± 0.003°
γ	90°
Cell volume	1478.99 ± 0.07 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	3
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	0.0379
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7233551.cif
217830	2019-08-29	cif/ Adding structures of 7233551 via cif-deposit CGI script.	7233551.cif