Crystallography Open Database

Information card for entry 1553226

Preview

Coordinates	1553226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H14 Cl2 N2 O
Calculated formula	C23 H14 Cl2 N2 O
SMILES	Clc1ccc(n2ccc3C(=O)N(c4c(cccc4)c23)c2ccc(Cl)cc2)cc1
Title of publication	Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives
Authors of publication	Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	3
Pages of publication	344
a	8.9936 ± 0.0003 Å
b	20.9137 ± 0.0005 Å
c	10.6975 ± 0.0004 Å
α	90°
β	112.585 ± 0.004°
γ	90°
Cell volume	1857.78 ± 0.12 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233720 (current)	2019-11-23	cif/ Adding structures of 1553226, 1553227, 1553228, 1553229 via cif-deposit CGI script.	1553226.cif