Crystallography Open Database

Information card for entry 7239117

Preview

Coordinates	7239117.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(+/-)<i>N</i>-(chrysen-6-yl)-3-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-4- (thiophene-2-yl)azetidin-2-one acetone solvate
Formula	C34 H30 N2 O2 S
Calculated formula	C34 H29 N2 O2 S
Title of publication	A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles
Authors of publication	Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	37
Pages of publication	16756
a	15.6995 ± 0.0012 Å
b	10.4795 ± 0.0009 Å
c	17.7531 ± 0.0016 Å
α	90°
β	111.535 ± 0.008°
γ	90°
Cell volume	2716.9 ± 0.4 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	5
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	0.058
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244553 (current)	2019-11-28	cif/ Adding structures of 7239115, 7239116, 7239117 via cif-deposit CGI script.	7239117.cif