Crystallography Open Database

Information card for entry 7222410

Preview

Coordinates	7222410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H79 N3 O2
Calculated formula	C56 H79 N3 O2
SMILES	O=C1N(C(=O)C(=C1c1c2ccccc2n(c1)CCCCCCCCCCCC)c1c2ccccc2n(c1)CCCCCCCCCCCC)CCCCCCCCCCCC
Title of publication	The Bisindolylmaleimides With Anti-Parallel Conformation by N-Dodecyl Chains on Indole Rings:Thermal Property and Intensive Solid-State Fluorescence in Single Crystal
Authors of publication	Li, Ting-Ting; Gao, Yong-Chen; Zhou, Jin-Xiu; Huang, Mu-Hua; Luo, Yunjun
Journal of publication	RSC Adv.
Year of publication	2015
a	11.246 ± 0.002 Å
b	12.502 ± 0.003 Å
c	18.736 ± 0.004 Å
α	83.75 ± 0.03°
β	74.78 ± 0.03°
γ	85.12 ± 0.03°
Cell volume	2522.3 ± 1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1723
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.2225
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222410.cif
159571	2015-10-03	cif/ Adding structures of 7222409, 7222410 via cif-deposit CGI script.	7222410.cif