Information card for entry 4027870

Structure parameters

• Formula: C24 H40 O3 Si
• Calculated formula: C24 H40 O3 Si
• SMILES: [Si](O[C@H]1CC\C=C(\C[C@H]2O[C@@H]1[C@@H]1[C@H](CCC(=O)[C@H]21)C(=C)C)C)(C)(C)C(C)(C)C.[Si](O[C@@H]1CC\C=C(\C[C@@H]2O[C@H]1[C@H]1[C@@H](CCC(=O)[C@@H]21)C(=C)C)C)(C)(C)C(C)(C)C
• Title of publication: Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy
• Authors of publication: J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 673 - 696
• a: 8.8106 ± 0.0011 Å
• b: 9.7886 ± 0.0014 Å
• c: 16.251 ± 0.002 Å
• α: 73.623 ± 0.008°
• β: 87.036 ± 0.007°
• γ: 63.785 ± 0.007°
• Cell volume: 1202 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No