Crystallography Open Database

Information card for entry 7230615

Preview

Coordinates	7230615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Cl N O2 S
Calculated formula	C18 H24 Cl N O2 S
Title of publication	Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation
Authors of publication	Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	25
Pages of publication	3476
a	10.3869 ± 0.0003 Å
b	15.4759 ± 0.0003 Å
c	11.2824 ± 0.0003 Å
α	90°
β	105.723 ± 0.003°
γ	90°
Cell volume	1745.75 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
229037 (current)	2019-11-17	cif/ Updating files of 7230615, 7230616, 7230617, 7230618, 7230619, 7230620, 7230621 Original log message: Adding full bibliography for 7230615--7230621.cif.	7230615.cif
207737	2018-05-11	cif/ Adding structures of 7230615, 7230616, 7230617, 7230618, 7230619, 7230620, 7230621 via cif-deposit CGI script.	7230615.cif