Information card for entry 4126013

Structure parameters

• Formula: C19 H24 B F3 O3
• Calculated formula: C19 H24 B F3 O3
• SMILES: B1(OC(C(O1)(C)C)(C)C)C(=C\1[C@H](COC1)C)\c1ccc(cc1)C(F)(F)F
• 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: 6.126 ± 0.0004 Å
• b: 12.1135 ± 0.0007 Å
• c: 24.9789 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1853.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No