Information card for entry 2223394

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-cyanoethyl)-4,4'-dimethyl-<i>N</i>,<i>N</i>'- (butane-1,4-diyl)dibenzenesulfonamide
• Formula: C24 H30 N4 O4 S2
• Calculated formula: C24 H30 N4 O4 S2
• SMILES: N#CCCN(S(=O)(=O)c1ccc(cc1)C)CCCCN(S(=O)(=O)c1ccc(cc1)C)CCC#N
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-cyanoethyl)-4,4'-dimethyl-<i>N</i>,<i>N</i>'-(butane-1,4-diyl)dibenzenesulfonamide
• Authors of publication: Cheng, Peng-Fei; Wang, Chao-Jie; Wang, Yu-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2433
• a: 16.688 ± 0.013 Å
• b: 5.786 ± 0.005 Å
• c: 13.675 ± 0.011 Å
• α: 90°
• β: 104.005 ± 0.013°
• γ: 90°
• Cell volume: 1281.2 ± 1.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes