Information card for entry 7239699

Structure parameters

• Formula: C17 H20 F3 N O2 S
• Calculated formula: C17 H20 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: 11.0703 ± 0.0005 Å
• b: 12.2683 ± 0.0005 Å
• c: 13.2315 ± 0.0006 Å
• α: 107.558 ± 0.002°
• β: 90.903 ± 0.002°
• γ: 102.794 ± 0.002°
• Cell volume: 1664.16 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No