Crystallography Open Database

Information card for entry 7156092

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Structure parameters

Formula	C32 H28 N2
Calculated formula	C32 H28 N2
SMILES	n1c2ccccc2c(c(c1)C(=C\c1ccc(cc1)C)\CNc1ccccc1)c1ccc(cc1)C
Title of publication	Palladium-catalyzed dimerization of N-aryl propargylamines for the synthesis of 3-vinylquinolines.
Authors of publication	Li, Xiao-Fang; Zhang, Xing-Guo; Hu, Bo-Lun; Zhang, Xiao-Hong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	10
Pages of publication	1736 - 1744
a	10.474 ± 0.005 Å
b	10.511 ± 0.005 Å
c	13.935 ± 0.006 Å
α	87.432 ± 0.008°
β	75.479 ± 0.007°
γ	71.405 ± 0.008°
Cell volume	1406.6 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1034
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2169
Weighted residual factors for all reflections included in the refinement	0.2391
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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