Information card for entry 2209212

Structure parameters

• Common name: Forskolin G
• Chemical name: 1α-hydroxy-6β,7β-diacetoxy-8,13-epoxylabd-14-en-11-one
• Formula: C24 H36 O7
• Calculated formula: C24 H36 O7
• SMILES: O[C@H]1CCC([C@@H]2[C@H](OC(=O)C)[C@H](OC(=O)C)[C@]3(O[C@](CC(=O)[C@@H]3[C@@]12C)(C=C)C)C)(C)C
• Title of publication: Forskolin G
• Authors of publication: Yu-Pei Shan; Xiao-Bing Wang; Ling-Yi Kong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2408 - o2410
• a: 9.839 ± 0.003 Å
• b: 11.981 ± 0.004 Å
• c: 10.908 ± 0.004 Å
• α: 90°
• β: 114.982 ± 0.004°
• γ: 90°
• Cell volume: 1165.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes