Information card for entry 8106420

Structure parameters

• Formula: C20 H24 O6
• Calculated formula: C20 H24 O6
• Title of publication: Crystal constructure of 16(S)-methyl-6α-carboxy-1, 15-dioxo-6, 7-seco-ent-kaur-2-en-7, 20-olide, C20H24O6
• Authors of publication: Zhao, Neng-Wu; Ye, Jiang-Hai; Zhao, Chen-Liang; Zhang, Jing-Jie; Pan, Lu-Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 27 - 28
• a: 7.697 ± 0.014 Å
• b: 13.91 ± 0.02 Å
• c: 16.75 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1793 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No