Crystallography Open Database

Information card for entry 8105580

Preview

Coordinates	8105580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 Cl N2
Calculated formula	C20 H13 Cl N2
Title of publication	Crystal structure of 2-(4-chlorophenyl)-3-phenyl-1,8-naphthyridine, C20H13N2Cl
Authors of publication	Li, Yi-Biao; Chen, Lu; Zhu, Zhong-Zhi; Huang, Yu-Bing; Chen, Xiu-Wen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	179 - 180
a	6.179 ± 0.004 Å
b	11.666 ± 0.008 Å
c	22.46 ± 0.015 Å
α	90°
β	95.837 ± 0.008°
γ	90°
Cell volume	1610.6 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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