Information card for entry 4113680

Structure parameters

• Formula: C28 H33 Br O4 Si
• Calculated formula: C28 H33 Br O4 Si
• SMILES: BrC1=C(C(OC)(OC)C=C(C1=O)CC=C)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1
• Authors of publication: Chaomin Li; Richard P. Johnson; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5095 - 5106
• a: 8.0418 ± 0.0006 Å
• b: 11.192 ± 0.0009 Å
• c: 15.8196 ± 0.0012 Å
• α: 82.927 ± 0.002°
• β: 89.152 ± 0.002°
• γ: 73.488 ± 0.002°
• Cell volume: 1354.41 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No