Information card for entry 2011258

Structure parameters

• Formula: C26 H35 N O2 S
• Calculated formula: C26 H35 N O2 S
• SMILES: S(=O)(=O)(N([C@H]1[C@@H]2CCC[C@@]2(CC(C1)(C)C)C)Cc1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N([C@@H]1[C@H]2CCC[C@]2(CC(C1)(C)C)C)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: <i>N</i>-Benzyl-4-methyl-<i>N</i>-[(3a<i>R</i>*,4<i>R</i>*,7a<i>R</i>*)-6,6,7a-trimethylperhydroinden-4-yl]benzenesulfonamide
• Authors of publication: Hollmann, Christoph; Schürmann, Markus; Preut, Hans; Eilbracht, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e352 - e352
• a: 9.3965 ± 0.0002 Å
• b: 10.5437 ± 0.0003 Å
• c: 13.2813 ± 0.0004 Å
• α: 109.612 ± 0.0016°
• β: 90.009 ± 0.002°
• γ: 103.902 ± 0.002°
• Cell volume: 1198.48 ± 0.06 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes