Information card for entry 1507381

Structure parameters

• Formula: C26 H24 Br2 O8
• Calculated formula: C26 H24 Br2 O8
• SMILES: Brc1ccc(C(=O)O[C@@H]2[C@@H]3OC(=O)[C@H]([C@H](C2)C(=O)OCC)[C@H]3CCOC(=O)c2ccc(Br)cc2)cc1
• Title of publication: Useful enantioselective bicyclization reactions using an N-protonated chiral oxazaborolidine as catalyst.
• Authors of publication: Zhou, Gang; Hu, Qi-Ying; Corey, E. J.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 3979 - 3982
• a: 8.1024 ± 0.001 Å
• b: 10.0673 ± 0.0012 Å
• c: 16.2 ± 0.002 Å
• α: 90°
• β: 90.776 ± 0.002°
• γ: 90°
• Cell volume: 1321.3 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No