Information card for entry 1503150

Structure parameters

• Formula: C17 H15 Br O2
• Calculated formula: C17 H15 Br O2
• SMILES: Brc1ccc(C(=O)O[C@@H]2C=C[C@H]3[C@@H]2[C@H]2C=C[C@@H]3C2)cc1
• Title of publication: C1-symmetric dicyclopentadienes as new chiral diene ligands for asymmetric rhodium-catalyzed arylation of N-tosylarylimines.
• Authors of publication: Shao, Cheng; Yu, Hong-Jie; Wu, Nuo-Yi; Feng, Chen-Guo; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 17
• Pages of publication: 3820 - 3823
• a: 6.8149 ± 0.001 Å
• b: 14.637 ± 0.002 Å
• c: 14.679 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1464.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No