Information card for entry 7114472

Structure parameters

• Formula: C16 H32 O3 Si
• Calculated formula: C16 H32 O3 Si
• SMILES: [Si](O[C@@H]1[C@H]2[C@H]([C@@H](C[C@H]1O)CO)CCC2)(C)(C)C(C)(C)C
• Title of publication: Synthesis of the bicyclic dienone core of the antitumor agent ottelione B
• Authors of publication: Clive, Derrick L. J.; Fletcher, Stephen P.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1940
• a: 10.4325 ± 0.0014 Å
• b: 7.3565 ± 0.001 Å
• c: 11.6823 ± 0.0015 Å
• α: 90°
• β: 96.132 ± 0.003°
• γ: 90°
• Cell volume: 891.4 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0842
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No