Crystallography Open Database

Information card for entry 7156093

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Structure parameters

Formula	C26 H21 N O
Calculated formula	C26 H21 N O
SMILES	O=C/C(=C/c1ccc(cc1)C)c1c(c2c(nc1)cccc2)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	9.8683 ± 0.0007 Å
b	10.505 ± 0.0008 Å
c	10.8101 ± 0.0008 Å
α	110.935 ± 0.002°
β	95.718 ± 0.002°
γ	105.727 ± 0.002°
Cell volume	983.13 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0642
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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