Information card for entry 4112464

Structure parameters

• Formula: C21 H33 Br O3 Si
• Calculated formula: C21 H33 Br O3 Si
• SMILES: BrC1=C(C(=O)[C@@]2(CC(=CC[C@@H]2C1=O)O[Si](C(C)C)(C(C)C)C(C)C)C)C
• Title of publication: Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules
• Authors of publication: Do Hyun Ryu; Gang Zhou; E. J. Corey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4800 - 4802
• a: 7.995 ± 0.005 Å
• b: 9.113 ± 0.006 Å
• c: 30.058 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2190 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No