Information card for entry 2209792

Structure parameters

• Chemical name: 1,3',7,7-Tetramethylspiro[bicyclo[2.2.1]heptane-2,2'-thiolane] 1',1'-dioxide
• Formula: C14 H24 O2 S
• Calculated formula: C14 H24 O2 S
• SMILES: [C@]12(C[C@H]3CC[C@@]1(C3(C)C)C)[C@@H](CCS2(=O)=O)C
• Title of publication: 1,3',7,7-Tetramethylspiro[bicyclo[2.2.1]heptane-2,2'-thiolane] 1',1'-dioxide
• Authors of publication: Huang, Kun; Li, Yi-Zhi; Zhao, Sen-Zhi; Li, Xin-Liang; Huang, Zhi-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3237 - o3238
• a: 6.8918 ± 0.0008 Å
• b: 12.9137 ± 0.0014 Å
• c: 30.668 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2729.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes