Crystallography Open Database

Information card for entry 7234561

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Coordinates	7234561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 N2
Calculated formula	C24 H16 N2
Title of publication	Fluorescence mutation and structural evolution of a pi-conjugated molecular crystal during phase transition
Authors of publication	Yuanxiang Xu; Kai Wang; Yujian Zhang; Zengqi Xie; Bo Zou; Yuguang Ma
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	1257 - 1262
a	6.841 ± 0.0014 Å
b	7.313 ± 0.0015 Å
c	35.529 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1777.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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