Crystallography Open Database

Information card for entry 7239695

Preview

Coordinates	7239695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 F3 N O3 S
Calculated formula	C17 H20 F3 N O3 S
Title of publication	Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals
Authors of publication	Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	2
Pages of publication	349 - 360
a	11.0788 ± 0.0005 Å
b	12.2658 ± 0.0006 Å
c	12.9608 ± 0.0006 Å
α	90°
β	108.438 ± 0.001°
γ	90°
Cell volume	1670.84 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0589
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
257469 (current)	2020-10-06	cif/ Updating files of 7239687, 7239688, 7239689, 7239690, 7239691, 7239692, 7239693, 7239694, 7239695, 7239696, 7239697, 7239698, 7239699 Original log message: Adding full bibliography for 7239687--7239699.cif.	7239695.cif
246367	2020-01-01	cif/ Adding structures of 7239687, 7239688, 7239689, 7239690, 7239691, 7239692, 7239693, 7239694, 7239695, 7239696, 7239697, 7239698, 7239699 via cif-deposit CGI script.	7239695.cif