Information card for entry 8106311

Structure parameters

• Formula: C20 H26 O5
• Calculated formula: C20 H26 O5
• SMILES: C1CC[C@@]2([C@H]3[C@H]([C@@H]([C@]45[C@]([C@]13C)(CC[C@H](C4)C(=C)C5=O)O)O)OC2=O)C
• Title of publication: Crystal structure of 7β,9β-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5
• Authors of publication: Zou, Juan; Zhao, Chen-Liang; Ye, Jiang-Hai; He, Kang; Tang, Ren-Tao; Pan, Lu-Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 825 - 826
• a: 7.302 ± 0.004 Å
• b: 11.307 ± 0.005 Å
• c: 20.414 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1685.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.1036
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No