Information card for entry 4102586

Structure parameters

• Chemical name: 2-(R)-ethoxy-5,5-di(4-bromophenyl)tetrahydrofuran
• Formula: C18 H18 Br2 O2
• Calculated formula: C18 H18 Br2 O2
• SMILES: Brc1ccc(C2(CC[C@@H](O2)OCC)c2ccc(Br)cc2)cc1
• Title of publication: Catalytic Asymmetric Transacetalization
• Authors of publication: Ilija Čorić; Sreekumar Vellalath; Benjamin List
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8536 - 8537
• a: 10.8373 ± 0.0009 Å
• b: 10.8373 ± 0.0009 Å
• c: 14.8921 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1749 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No