Information card for entry 7109722

Structure parameters

• Formula: C18 H32 O3 Si
• Calculated formula: C18 H32 O3 Si
• SMILES: [C@]1(CC=C([C@H]2CC[C@@]([C@H]12)(C)O)C)(C=O)O[Si](C)(C)C(C)(C)C
• Title of publication: First total synthesis of (‒)-sinularianin B
• Authors of publication: Koichiro Ota; Hiroaki Miyaoka
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8148
• a: 14.954 ± 0.003 Å
• b: 20.598 ± 0.004 Å
• c: 25.591 ± 0.005 Å
• α: 90°
• β: 95.863 ± 0.003°
• γ: 90°
• Cell volume: 7841 ± 3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No