Information card for entry 2212773

Structure parameters

• Chemical name: (-)-N-[(3R)-3-(4-Fluorophenyl)-pentanoyl]bornane-10,2-sultam
• Formula: C21 H28 F N O3 S
• Calculated formula: C21 H28 F N O3 S
• SMILES: [C@]123CC[C@H](C[C@H]1N(C(=O)C[C@@H](CC)c1ccc(cc1)F)S(=O)(=O)C3)C2(C)C
• Title of publication: ({-})-<i>N</i>-[(3<i>R</i>)-3-(4-Fluorophenyl)pentanoyl]bornane-10,2-sultam
• Authors of publication: Xiu-Fang Cao; Guang-Ao Yu; Sheng-Hua Liu; Ming Hu; Min Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o2034 - o2035
• a: 7.8481 ± 0.0011 Å
• b: 16.659 ± 0.002 Å
• c: 7.8481 ± 0.0011 Å
• α: 90°
• β: 90.84 ± 0.01°
• γ: 90°
• Cell volume: 1026 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes