Information card for entry 1506778

Structure parameters

• Formula: C28 H31 Br O3 Si
• Calculated formula: C28 H31 Br O3 Si
• SMILES: Brc1ccc(cc1)C(=O)O[C@@H](/C=C/[C@@H]1O[C@H]1[Si](C)(C(C)(C)C)C)c1cc2c(cc1)cccc2.Brc1ccc(cc1)C(=O)O[C@H](/C=C/[C@H]1O[C@@H]1[Si](C)(C(C)(C)C)C)c1cc2c(cc1)cccc2
• Title of publication: Asymmetric [2,3]-Wittig rearrangement induced by a chiral carbanion whose chirality was transferred from an epoxide.
• Authors of publication: Sasaki, Michiko; Higashi, Mariko; Masu, Hyuma; Yamaguchi, Kentaro; Takeda, Kei
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 5913 - 5915
• a: 30.718 ± 0.003 Å
• b: 6.6546 ± 0.0006 Å
• c: 26.833 ± 0.003 Å
• α: 90°
• β: 105.942 ± 0.002°
• γ: 90°
• Cell volume: 5274.1 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.208
• 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