Information card for entry 1516968

Structure parameters

• Formula: C23 H19 Br O4
• Calculated formula: C23 H19 Br O4
• SMILES: Br[C@@H]1[C@@H](OC(=O)c2cccc3c2cccc3)c2c(CC1)ccc(c2)C(=O)OC
• Title of publication: Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.
• Authors of publication: Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 3728
• a: 8.0129 ± 0.0019 Å
• b: 8.8764 ± 0.0018 Å
• c: 14.284 ± 0.003 Å
• α: 75.661 ± 0.009°
• β: 88.56 ± 0.011°
• γ: 73.636 ± 0.007°
• Cell volume: 943.3 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No