Information card for entry 1513473

Structure parameters

• Formula: C21 H30 O6
• Calculated formula: C21 H30 O6
• SMILES: O(C(=O)C=C(C)C)/C=C/[C@H]1[C@@H](C(=O)[C@@](O)(CO)[C@H]2C[C@@]1(CC2)C)CC(=O)C
• Title of publication: Vibsatins A and B, Two New Tetranorvibsane-Type Diterpenoids from Viburnum tinus cv. variegatus.
• Authors of publication: Gao, Xiu; Shao, Li-Dong; Dong, Liao-Bin; Cheng, Xiao; Wu, Xing-De; Liu, Fei; Jiang, Wei-Wei; Peng, Li-Yan; He, Juan; Zhao, Qin-Shi
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 980 - 983
• a: 23.138 ± 0.001 Å
• b: 24.004 ± 0.001 Å
• c: 8.6874 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4825 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No