Information card for entry 7239689

Structure parameters

• Formula: C19 H24 F3 N O2 S
• Calculated formula: C19 H24 F3 N O2 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: 9.4774 ± 0.0004 Å
• b: 12.916 ± 0.0006 Å
• c: 15.3582 ± 0.0007 Å
• α: 90°
• β: 99.847 ± 0.001°
• γ: 90°
• Cell volume: 1852.3 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No