Information card for entry 2212794

Structure parameters

• Chemical name: (-)-<i>N</i>-[(3<i>R</i>)-3-(4-Chlorophenyl)-4-phenylbutananoyl]bornane-10,2- sultam
• Formula: C26 H30 Cl N O3 S
• Calculated formula: C26 H30 Cl N O3 S
• SMILES: [C@@H]12C[C@H]3CC[C@@]1(C3(C)C)CS(=O)(=O)N2C(=O)C[C@@H](Cc1ccccc1)c1ccc(cc1)Cl
• Title of publication: ({-})-<i>N</i>-[(3<i>R</i>)-3-(4-Chlorophenyl)-4-phenylbutananoyl]bornane-10,2-sultam
• Authors of publication: Yan Lin; Xiu-Fang Cao; Ming Hu; Guang-Ao Yu; Sheng-Hua Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1872 - o1873
• a: 9.5494 ± 0.0007 Å
• b: 9.6345 ± 0.0007 Å
• c: 26.3629 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2425.5 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes