Crystallography Open Database

Information card for entry 7230618

Preview

Coordinates	7230618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N2 O4 S
Calculated formula	C18 H24 N2 O4 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	10.5834 ± 0.0003 Å
b	15.2084 ± 0.0005 Å
c	11.6137 ± 0.0003 Å
α	90°
β	107.101 ± 0.001°
γ	90°
Cell volume	1786.66 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0484
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	7230618.cif
207737	2018-05-11	cif/ Adding structures of 7230615, 7230616, 7230617, 7230618, 7230619, 7230620, 7230621 via cif-deposit CGI script.	7230618.cif