Crystallography Open Database

Information card for entry 2234460

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Structure parameters

Chemical name	4-(Anthracen-9-yl)-2-phenyl-6-(pyridin-2-yl)pyridine
Formula	C30 H20 N2
Calculated formula	C30 H20 N2
SMILES	n1c(c2ncccc2)cc(c2c3c(cc4c2cccc4)cccc3)cc1c1ccccc1
Title of publication	4-(Anthracen-9-yl)-2-phenyl-6-(pyridin-2-yl)pyridine
Authors of publication	Wang, Hao-Wei; Ren, Jun; Ye, Wen-Bo; Yang, Jia-Xiang
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	o1210
a	12.642 ± 0.0003 Å
b	14.8499 ± 0.0004 Å
c	11.8707 ± 0.0003 Å
α	90°
β	104.006 ± 0.002°
γ	90°
Cell volume	2162.26 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1053
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.2154
Goodness-of-fit parameter for all reflections included in the refinement	1.325
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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