Information card for entry 8103136

Structure parameters

• Formula: C24 H30 O7
• Calculated formula: C24 H30 O7
• SMILES: C1(=O)C[C@H]2C([C@@H]3[C@H](C(=O)[C@@]45[C@@H]([C@@]13CO2)CC[C@@H](C4)C(=C)[C@@H]5OC(=O)C)OC(=O)C)(C)C
• Title of publication: Refinement of the crystal structure of 3,20-epoxy-6b,15b-diacetoxy-ent-kaurene-1,7-dione, C24H30O7
• Authors of publication: Jing-Jie Zhang; Qi-Ji Li; Qi-Long Zhang; Lu-Tai Pan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 305
• a: 6.7733 ± 0.0005 Å
• b: 14.662 ± 0.0012 Å
• c: 11.4365 ± 0.0009 Å
• α: 90°
• β: 95.77 ± 0.003°
• γ: 90°
• Cell volume: 1130.01 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0554
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No