Information card for entry 1502217

Structure parameters

• Formula: C18 H32 O2 Si
• Calculated formula: C18 H32 O2 Si
• SMILES: [Si](C)(C)(C(C)(C)C)O[C@H]1C=C2[C@]([C@@H]3[C@H]([C@@]2(CC1)C)C3)(C)O.[Si](C)(C)(C(C)(C)C)O[C@@H]1C=C2[C@@]([C@H]3[C@@H]([C@]2(CC1)C)C3)(C)O
• Title of publication: A concise construction of the chlorahololide heptacyclic core.
• Authors of publication: Lu, Yin-Suo; Peng, Xiao-Shui
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 2940 - 2943
• a: 21.881 ± 0.003 Å
• b: 21.881 ± 0.003 Å
• c: 21.626 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8967 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2521
• Weighted residual factors for all reflections included in the refinement: 0.2916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No