Crystallography Open Database

Information card for entry 1553227

Preview

Coordinates	1553227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 Cl2 N2 O2
Calculated formula	C24 H14 Cl2 N2 O2
SMILES	Clc1ccc(N2c3ccccc3c3n(c(cc3C2=O)C=O)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	6.3775 ± 0.0005 Å
b	12.1686 ± 0.001 Å
c	13.4121 ± 0.0008 Å
α	80.819 ± 0.006°
β	88.955 ± 0.005°
γ	75.537 ± 0.007°
Cell volume	994.7 ± 0.13 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	1553227.cif