Information card for entry 1505605

Structure parameters

• Common name: 06222
• Formula: C27 H36 O5 Si
• Calculated formula: C27 H36 O5 Si
• SMILES: [Si](OC[C@@H]1O[C@@]2(O[C@@H](C)CC=C2)[C@@H](O)[C@@H](O)C1)(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: An enantioselective total synthesis of (+)-aigialospirol.
• Authors of publication: Figueroa, Ruth; Hsung, Richard P.; Guevarra, Christle C.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 4857 - 4859
• a: 9.5921 ± 0.0001 Å
• b: 9.5921 ± 0.0001 Å
• c: 55.2591 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5084.3 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No