Information card for entry 1503418

Structure parameters

• Formula: C21 H40 O3 Si
• Calculated formula: C21 H40 O3 Si
• SMILES: [Si](O[C@H]([C@H]1C(=O)[C@@H](CC[C@@H]1C(C)C)C)/C(=C/CO)C)(C)(C)C(C)(C)C
• Title of publication: Enantiospecific synthesis of the cubitane skeleton.
• Authors of publication: Schöttner, Elisabeth; Wiechoczek, Maren; Jones, Peter G.; Lindel, Thomas
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 784 - 787
• a: 10.2696 ± 0.0003 Å
• b: 12.6091 ± 0.0003 Å
• c: 17.8108 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2306.33 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0258
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No