Information card for entry 4130778

Structure parameters

• Formula: C19 H24 O5
• Calculated formula: C19 H24 O5
• SMILES: O1[C@H]2[C@]34[C@]56[C@H](O[C@@]3(C[C@H]([C@@]12C)CC4)C(=O)OC5)C(C)(C[C@@H]1O[C@H]61)C.O1[C@@H]2[C@@]34[C@@]56[C@@H](O[C@]3(C[C@@H]([C@]12C)CC4)C(=O)OC5)C(C)(C[C@H]1O[C@@H]61)C
• Title of publication: 11-Step Total Synthesis of (-)-Maoecrystal V.
• Authors of publication: Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 30
• Pages of publication: 9425 - 9428
• a: 13.798 ± 0.001 Å
• b: 7.124 ± 0.0006 Å
• c: 16.8297 ± 0.0013 Å
• α: 90°
• β: 94.256 ± 0.005°
• γ: 90°
• Cell volume: 1649.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No