Information card for entry 7239695

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 ų
• 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 Fobs: No