Information card for entry 4126012

Structure parameters

• Formula: C20 H27 B O5
• Calculated formula: C20 H27 B O5
• SMILES: B1(C(=C2[C@H](COC2)C)c2ccc(cc2)C(=O)OC)OC(C(O1)(C)C)(C)C
• Title of publication: Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.
• Authors of publication: Yu, Songjie; Wu, Caizhi; Ge, Shaozhong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 19
• Pages of publication: 6526 - 6529
• a: 6.1827 ± 0.0004 Å
• b: 16.2477 ± 0.0009 Å
• c: 18.7515 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1883.68 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No