Crystallography Open Database

Information card for entry 7155312

Preview

Coordinates	7155312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 Cl N2 O
Calculated formula	C16 H13 Cl N2 O
SMILES	Clc1ccc2c3c(nc(c2c1)C(=O)N(C)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	4.7439 ± 0.0008 Å
b	16.18 ± 0.003 Å
c	18.262 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1401.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1181
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7155312.cif
187311	2016-10-13	cif/ Adding structures of 7155312, 7155313 via cif-deposit CGI script.	7155312.cif