Information card for entry 1503033

Structure parameters

• Formula: C24 H40 O3 Si
• Calculated formula: C24 H40 O3 Si
• SMILES: [Si](O[C@@H]1CCC(C[C@@]21CC(=O)C(=O)C[C@@H]1CC=C2CC1)(C)C)(C(C)(C)C)(C)C.[Si](O[C@H]1CCC(C[C@]21CC(=O)C(=O)C[C@H]1CC=C2CC1)(C)C)(C(C)(C)C)(C)C
• Title of publication: A synthesis of the carbocyclic core of maoecrystal V.
• Authors of publication: Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 3010 - 3013
• a: 10.329 ± 0.003 Å
• b: 12.915 ± 0.004 Å
• c: 35.149 ± 0.014 Å
• α: 90°
• β: 95.424 ± 0.01°
• γ: 90°
• Cell volume: 4668 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No