Information card for entry 4107877

Structure parameters

• Formula: C25 H51 Br O3 Si
• Calculated formula: C25 H51 Br O3 Si
• SMILES: [C@@H]1([C@H]([C@H](CC)Br)C[C@H](C1(CC)CC)O[C@@H]([C@@H](C)O)C)O[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Control of up to Five Stereocenters in a Cascade Reaction: Synthesis of Highly Functionalized Five-Membered Rings
• Authors of publication: Hao Li; Teck-Peng Loh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7194 - 7195
• a: 11.0258 ± 0.0005 Å
• b: 14.7287 ± 0.0006 Å
• c: 17.6215 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2861.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No