Crystallography Open Database

Information card for entry 7230718

Preview

Coordinates	7230718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 Cl N2 O2
Calculated formula	C20 H23 Cl N2 O2
Title of publication	The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond
Authors of publication	Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	33
Pages of publication	18672
a	7.1893 ± 0.0004 Å
b	11.0732 ± 0.0006 Å
c	12.4016 ± 0.0009 Å
α	101.763 ± 0.005°
β	96.088 ± 0.006°
γ	105.598 ± 0.005°
Cell volume	917.3 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
207900 (current)	2018-05-22	cif/ Adding structures of 7230708, 7230709, 7230710, 7230711, 7230712, 7230713, 7230714, 7230715, 7230716, 7230717, 7230718 via cif-deposit CGI script.	7230718.cif