Information card for entry 2219133

Structure parameters

• Chemical name: <i>N</i>-[2-(4-Chlorophenyl)propanoyl]-1-methylbornane-10,2-sultam
• Formula: C20 H26 Cl N O3 S
• Calculated formula: C20 H26 Cl N O3 S
• SMILES: [C@@]123CC[C@@H](C[C@@H]1N(C(=O)[C@@H](C)c1ccc(cc1)Cl)S(=O)(=O)[C@H]3C)C2(C)C.[C@]123CC[C@H](C[C@H]1N(C(=O)[C@H](C)c1ccc(cc1)Cl)S(=O)(=O)[C@@H]3C)C2(C)C
• Title of publication: <i>N</i>-[2-(4-Chlorophenyl)propanoyl]-1-methylbornane-10,2-sultam
• Authors of publication: Lu, Wen-Chang; Yu, Guang-Ao; Cao, Xiu-Fang; Jin, Shan; Liu, Sheng-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1539
• a: 24.6517 ± 0.001 Å
• b: 7.643 ± 0.0003 Å
• c: 22.1608 ± 0.0009 Å
• α: 90°
• β: 109.477 ± 0.001°
• γ: 90°
• Cell volume: 3936.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes