Information card for entry 2203520

Structure parameters

• Common name: Kamebacetal A
• Chemical name: (1S,2S,8S,9R,11R,15S,16S,18R)-15,18-dihydroxy-16-methoxy-12,12-dimethyl- 6-methylene-17-oxapentacyclo[7.6.2.1^5,8^.0^1,11^.0^2,8^]octadecan-7-one
• Formula: C21 H30 O5
• Calculated formula: C21 H30 O5
• SMILES: O1[C@H]2[C@@]34[C@H]([C@]5([C@H](C2)C(CC[C@@H]5O)(C)C)[C@H]1OC)CC[C@@H](C(=C)C3=O)[C@H]4O
• Title of publication: The natural diterpenoid kamebacetal A
• Authors of publication: Shi, Hao; Sun, Cui Rong; Pan, Yuan Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o500 - o502
• a: 7.804 ± 0.001 Å
• b: 12.078 ± 0.002 Å
• c: 19.007 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1791.5 ± 0.5 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 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: 0.085
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes