Information card for entry 2210755

Structure parameters

• Chemical name: (-)-N-[(3S)-3-(4-Fluorophenyl-4-methyl)hexanoyl]bornane-10,2-sultam
• Formula: C22 H30 F N O3 S
• Calculated formula: C22 H30 F N O3 S
• SMILES: CC1(C)[C@@]23CC[C@@H]1C[C@H]2N(C(=O)C[C@@H](C(C)C)c1ccc(cc1)F)S(=O)(=O)C3
• Title of publication: (‒)-<i>N</i>-[(3<i>S</i>)-3-(4-Fluorophenyl-4-methyl)hexanoyl]bornane-10,2-sultam
• Authors of publication: Cao, Xiu-Fang; Yu, Guang-Ao; Liu, Sheng-Hua; Meng, Xiang-Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4458 - o4459
• a: 11.3245 ± 0.0011 Å
• b: 12.7667 ± 0.0012 Å
• c: 14.6079 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2112 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes