Information card for entry 4126014

Structure parameters

• Formula: C19 H24 O4
• Calculated formula: C19 H24 O4
• SMILES: OC[C@H]1COC2(C\1=C/c1ccccc1)CCC1(OCCO1)CC2
• 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: 20.4847 ± 0.0008 Å
• b: 20.4847 ± 0.0008 Å
• c: 6.8358 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2484.16 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No