Crystallography Open Database

Information card for entry 7233604

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Structure parameters

Formula	C42 H34 N2
Calculated formula	C42 H34 N2
SMILES	n1(c2ccccc2c2cc(ccc12)C(=C(\c1cc2c3c(n(c2cc1)CC)cccc3)c1ccccc1)\c1ccccc1)CC
Title of publication	Structural features and optical properties of a carbazole-containing ethene as a highly emissive organic solid
Authors of publication	Yang Liu; Xin Ye; Guangfeng Liu; Yun Lv; Xiying Zhang; Shuming Chen; Jacky W. Y. Lam; Hoi Sing Kwok; Xutang Tao; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	1004 - 1009
a	12.6635 ± 0.0013 Å
b	21.772 ± 0.002 Å
c	12.6541 ± 0.0012 Å
α	90°
β	117.068 ± 0.002°
γ	90°
Cell volume	3106.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1095
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
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.	7233604.cif
217912	2019-09-02	cif/ Adding structures of 7233604 via cif-deposit CGI script.	7233604.cif