Information card for entry 2224955

Structure parameters

• Chemical name: <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-7-<i>tert</i>- Butyldimethylsilyloxy-4,10-dimethyltetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan- 2-one
• Formula: C20 H34 O2 Si
• Calculated formula: C20 H34 O2 Si
• SMILES: [Si](O[C@]12CC[C@@]3(CC(=O)[C@@H]4C[C@@](CC1)([C@]234)C)C)(C)(C)C(C)(C)C.[Si](O[C@@]12CC[C@]3(CC(=O)[C@H]4C[C@](CC1)([C@@]234)C)C)(C)(C)C(C)(C)C
• Title of publication: <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-7-<i>tert</i>-Butyldimethylsilyloxy-4,10-dimethyltetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan-2-one
• Authors of publication: Weyermann, Philipp; Keese, Reinhart; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o340
• a: 13.7374 ± 0.0013 Å
• b: 14.7647 ± 0.0011 Å
• c: 19.2829 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3911.1 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes