Information card for entry 2005404

Structure parameters

• Formula: C31 H32 N2 O4 S2
• Calculated formula: C31 H32 N2 O4 S2
• SMILES: S(=O)(=O)(Nc1ccc(cc1)Cc1ccc(NS(=O)(=O)c2c(C)cc(cc2C)C)cc1)c1c(cc(C)cc1C)C
• Title of publication: 4,4'-Bis(2,4,6-trimethylbenzenesulfonamido)diphenylmethane
• Authors of publication: Feigel, M.; Strassner, Th.; Manero, J.; Weckert, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2303 - 2305
• a: 21.33 ± 0.001 Å
• b: 5.4002 ± 0.0001 Å
• c: 26.232 ± 0.002 Å
• α: 90°
• β: 112.447 ± 0.009°
• γ: 90°
• Cell volume: 2792.6 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No