Information card for entry 7239690

Structure parameters

• Formula: C20 H28 N2 O3 S
• Calculated formula: C20 H28 N2 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: 19.645 ± 0.004 Å
• b: 15.735 ± 0.003 Å
• c: 14.349 ± 0.003 Å
• α: 90°
• β: 114.347 ± 0.007°
• γ: 90°
• Cell volume: 4041 ± 1.4 ų
• Cell temperature: 350 ± 2 K
• Ambient diffraction temperature: 350 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No