Information card for entry 2220187

Structure parameters

• Chemical name: 2,2',4,4',6,6'-Hexamethyl-N-(3-phthalimidopropyl)-N,N'- (propane-1,3-diyl)dibenzenesulfonamide
• Formula: C32 H39 N3 O6 S2
• Calculated formula: C32 H39 N3 O6 S2
• SMILES: S(=O)(=O)(c1c(cc(cc1C)C)C)NCCCN(S(=O)(=O)c1c(cc(cc1C)C)C)CCCN1C(=O)c2ccccc2C1=O
• Title of publication: 2,2',4,4',6,6'-Hexamethyl-<i>N</i>-(3-phthalimidopropyl)-<i>N</i>,<i>N</i>'-(propane-1,3-diyl)dibenzenesulfonamide
• Authors of publication: Wang, Yu-Xia; Cheng, Peng-Fei; Wang, Chao-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2289
• a: 32.042 ± 0.003 Å
• b: 9.9782 ± 0.0008 Å
• c: 25.105 ± 0.002 Å
• α: 90°
• β: 127.917 ± 0.001°
• γ: 90°
• Cell volume: 6332.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes