Crystallography Open Database

Information card for entry 8105335

Preview

Coordinates	8105335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H19 N3 O
Calculated formula	C31 H19 N3 O
Title of publication	Crystal structure of (E)-1-(2-cyano-3-oxo-1-phenylprop-1-en-1-yl)-3,7-diphenylindolizine-6-carbonitrile, C31H19N3O
Authors of publication	Wang, Feng; Shen, Lun-Hua; Jiang, Jin-Ke; Chen, Nian-gen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	933 - 934
a	8.672 ± 0.005 Å
b	10.725 ± 0.006 Å
c	13.886 ± 0.008 Å
α	97.55 ± 0.009°
β	101.415 ± 0.009°
γ	109.603 ± 0.009°
Cell volume	1164.9 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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