Crystallography Open Database

Information card for entry 7155313

Preview

Coordinates	7155313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl N2 O
Calculated formula	C18 H15 Cl N2 O
SMILES	Clc1ccc2c3c(nc(c2c1)C1N(C(=O)CC1)C)cccc3
Title of publication	Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.
Authors of publication	Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	44
Pages of publication	10407 - 10414
a	8.2579 ± 0.0005 Å
b	16.2062 ± 0.001 Å
c	21.6169 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2893 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190259 (current)	2017-01-09	cif/ Updating files of 7155312, 7155313 Original log message: Adding full bibliography for 7155312--7155313.cif.	7155313.cif
187311	2016-10-13	cif/ Adding structures of 7155312, 7155313 via cif-deposit CGI script.	7155313.cif