Crystallography Open Database

Information card for entry 2311511

Preview

Coordinates	2311511.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diethyl 3,3'-[(2,4-dichlorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)
Formula	C29 H24 Cl2 N2 O4
Calculated formula	C29 H24 Cl2 N2 O4
SMILES	Clc1ccc(C(c2c3ccccc3[nH]c2C(=O)OCC)c2c3ccccc3[nH]c2C(=O)OCC)c(Cl)c1
Title of publication	Crystal structure of diethyl 3,3'-[(2,4-di-chloro-phen-yl)methyl-idene]bis-(1<i>H</i>-indole-2-carboxyl-ate).
Authors of publication	Li, Yu-Long; Sun, Hong-Shun; Jiang, Hong; Chen, Yu-Liang; Chen, Yang-Feng
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1817 - 1819
a	9.776 ± 0.002 Å
b	15.939 ± 0.003 Å
c	17.581 ± 0.004 Å
α	90°
β	101.94 ± 0.03°
γ	90°
Cell volume	2680.2 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1192
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	1
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
245946 (current)	2019-12-25	cif/ Adding structures of 2311511 via cif-deposit CGI script.	2311511.cif