Information card for entry 1555500

Structure parameters

• Formula: C19 H26 O3
• Calculated formula: C19 H26 O3
• SMILES: O1[C@@]2([C@@H]([C@@](CC2)(C1=O)C)c1c(c(OC)cc(c1)C)C)C(C)C
• Title of publication: Enantioselective Approach to (-)-Hamigeran B and (-)-4-Bromohamigeran B via Catalytic Asymmetric Hydrogenation of Racemic Ketone To Assemble the Chiral Core Framework.
• Authors of publication: Lin, Han; Xiao, Li-Jun; Zhou, Min-Jie; Yu, Hong-Ming; Xie, Jian-Hua; Zhou, Qi-Lin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1434 - 1437
• a: 6.43415 ± 0.00009 Å
• b: 13.9695 ± 0.0002 Å
• c: 18.8234 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1691.88 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 3
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No