Information card for entry 1504604

Structure parameters

• Formula: C16 H17 Br O3
• Calculated formula: C16 H17 Br O3
• SMILES: Brc1ccc(OC)cc1C[C@@H](O)c1ccc(OC)cc1
• Title of publication: Asymmetric synthesis of corsifuran A by an enantioselective oxazaborolidine reduction.
• Authors of publication: Adams, Harry; Gilmore, Nathan J.; Jones, Simon; Muldowney, Mark P.; von Reuss, Stephan H.; Vemula, Ramesh
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 1457 - 1460
• a: 4.668 ± 0.002 Å
• b: 13.096 ± 0.006 Å
• c: 24.086 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1472.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No