Information card for entry 2207848

Structure parameters

• Chemical name: N-[(3RS)-3-(4-Chlorophenyl)heptoyl]bornane-10,2-sultam
• Formula: C23 H32 Cl N O3 S
• Calculated formula: C23 H32 Cl N O3 S
• SMILES: CC1(C)[C@@H]2CC[C@]31[C@@H](C2)N(C(=O)C[C@@H](CCCC)c1ccc(cc1)Cl)S(=O)(=O)C3
• Title of publication: <i>N</i>-[(3<i>RS</i>)-3-(4-Chlorophenyl)heptanoyl]bornane-10,2-sultam
• Authors of publication: Cao, Xiu-Fang; Yin, Jun; Yu, Guang-Ao; Liu, Sheng-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o241 - o242
• a: 9.2278 ± 0.0013 Å
• b: 9.6269 ± 0.0014 Å
• c: 13.172 ± 0.0019 Å
• α: 90°
• β: 99.736 ± 0.002°
• γ: 90°
• Cell volume: 1153.3 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes