Information card for entry 1503419

Structure parameters

• Formula: C26 H46 O2 Si
• Calculated formula: C26 H46 O2 Si
• SMILES: [Si](O[C@@H]1[C@H]2C(=O)[C@H]([C@@H](CC=C(CCC=C1C)C)C[C@@H]2C(C)C)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: 24.0276 ± 0.0008 Å
• b: 15.7652 ± 0.0005 Å
• c: 6.8485 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2594.21 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No