Crystallography Open Database

Information card for entry 2311553

Preview

Coordinates	2311553.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)
Formula	C29 H25 N3 O6
Calculated formula	C29 H25 N3 O6
SMILES	N(=O)(=O)c1ccc(C(c2c3ccccc3[nH]c2C(=O)OCC)c2c3ccccc3[nH]c2C(=O)OCC)cc1
Title of publication	Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1<i>H</i>-indole-2-carboxyl-ate).
Authors of publication	Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Chen, Yu-Liang; Hu, Ya-Di
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1956 - 1958
a	8.804 ± 0.0018 Å
b	15.804 ± 0.003 Å
c	18.266 ± 0.004 Å
α	90°
β	98.78 ± 0.03°
γ	90°
Cell volume	2511.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1454
Weighted residual factors for all reflections included in the refinement	0.1643
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
245976 (current)	2019-12-25	cif/ Adding structures of 2311553 via cif-deposit CGI script.	2311553.cif