Information card for entry 2233067

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(3,3-dimethylallyl)-<i>N</i>,<i>N</i>'- (propane-1,3-diyl)dibenzenesulfonamide
• Formula: C25 H34 N2 O4 S2
• Calculated formula: C25 H34 N2 O4 S2
• SMILES: c1(ccccc1)S(=O)(=O)N(CCCN(CC=C(C)C)S(=O)(=O)c1ccccc1)CC=C(C)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3,3-dimethylallyl)-<i>N</i>,<i>N</i>'-(propane-1,3-diyl)dibenzenesulfonamide
• Authors of publication: Khan, Islam Ullah; Sheikh, Tahir Ali; Ejaz; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3507
• a: 10.3019 ± 0.0002 Å
• b: 16.3962 ± 0.0004 Å
• c: 16.05 ± 0.0004 Å
• α: 90°
• β: 108.449 ± 0.001°
• γ: 90°
• Cell volume: 2571.71 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes