Crystallography Open Database

Information card for entry 4025761

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Structure parameters

Formula	C26 H15 N5
Calculated formula	C26 H15 N5
SMILES	N(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(=C(C#N)C#N)C=C(C#N)C#N
Title of publication	Synthesis, Crystal Structures, and Photophysical Properties of Triphenylamine-Based Multicyano Derivatives
Authors of publication	Xianglin Tang; Weimin Liu; Jiasheng Wu; Chun-Sing Lee; Juanjuan You; Pengfei Wang
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	7273 - 7278
a	13.5051 ± 0.0004 Å
b	13.3289 ± 0.0004 Å
c	13.1464 ± 0.0004 Å
α	90°
β	113.55 ± 0.001°
γ	90°
Cell volume	2169.36 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0944
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.238
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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