Information card for entry 1503019

Structure parameters

• Formula: C24 H47 Br O3 Si
• Calculated formula: C24 H47 Br O3 Si
• SMILES: Br[C@H]1C[C@H]([C@]2(CCCC[C@]2(C1)O[Si](C(C)C)(C(C)C)C(C)C)C)O[C@@H]([C@@H](C)O)C
• Title of publication: A facile method for the synthesis of highly substituted six-membered rings: Mukaiyama-Aldol-Prins cascade reaction.
• Authors of publication: Li, Hao; Loh, Teck-Peng
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 2679 - 2681
• a: 8.4603 ± 0.0003 Å
• b: 10.6883 ± 0.0003 Å
• c: 14.7189 ± 0.0005 Å
• α: 90°
• β: 95.992 ± 0.002°
• γ: 90°
• Cell volume: 1323.7 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No