Crystallography Open Database

Information card for entry 7222409

Preview

Coordinates	7222409.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N',N''-Didodecylbisindolylmaleimide
Chemical name	3,4-bis(1-dodecyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
Formula	C44 H61 N3 O2
Calculated formula	C44 H61 N3 O2
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	11.2782 ± 0.0009 Å
b	11.283 ± 0.0009 Å
c	15.7258 ± 0.0013 Å
α	88.215 ± 0.007°
β	79.997 ± 0.007°
γ	83.701 ± 0.007°
Cell volume	1958.7 ± 0.3 Å³
Cell temperature	102.3 K
Ambient diffraction temperature	102.3 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	0.0824
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
159571 (current)	2015-10-03	cif/ Adding structures of 7222409, 7222410 via cif-deposit CGI script.	7222409.cif