Information card for entry 2231230

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-methylphenylsulfonyl)suberamide
• Formula: C22 H28 N2 O6 S2
• Calculated formula: C22 H28 N2 O6 S2
• SMILES: O=C(NS(=O)(=O)c1ccc(cc1)C)CCCCCCC(=O)NS(=O)(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-methylphenylsulfonyl)suberamide
• Authors of publication: Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2161
• a: 8.025 ± 0.001 Å
• b: 15.835 ± 0.002 Å
• c: 10.106 ± 0.001 Å
• α: 90°
• β: 112.31 ± 0.01°
• γ: 90°
• Cell volume: 1188.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1123
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes