Crystallography Open Database

Information card for entry 7234422

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Coordinates	7234422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 N4
Calculated formula	C44 H32 N4
Title of publication	4-Diphenylamino-phenyl substituted pyrazine: nonlinear optical switching by protonation
Authors of publication	Liang Xu; Hai Zhu; Guankui Long; Jun Zhao; Dongsheng Li; Rakesh Ganguly; Yongxin Li; Qing-Hua Xu; Qichun Zhang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	9191 - 9196
a	10.9996 ± 0.0004 Å
b	15.5466 ± 0.0007 Å
c	20.7794 ± 0.001 Å
α	97.458 ± 0.003°
β	104.211 ± 0.003°
γ	109.487 ± 0.003°
Cell volume	3159 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2432
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.2041
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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