Information card for entry 4129584

Structure parameters

• Formula: C20 H24 O6
• Calculated formula: C20 H24 O6
• SMILES: C1C[C@]2([C@H]([C@]34[C@@H](c5cccc6C[C@@H]([C@@H]([C@H]4O)c56)C)O[C@H]2CC3=O)O1)O.O
• Title of publication: Enantioselective Total Synthesis of (-)-Incarviatone A.
• Authors of publication: Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 37
• Pages of publication: 11946 - 11949
• a: 7.4116 ± 0.0002 Å
• b: 8.4114 ± 0.0003 Å
• c: 14.1853 ± 0.0004 Å
• α: 90°
• β: 98.761 ± 0.003°
• γ: 90°
• Cell volume: 874.02 ± 0.05 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No