Information card for entry 1502826

Structure parameters

• Formula: C26 H40 O6
• Calculated formula: C26 H40 O6
• SMILES: OC(=O)[C@]1([C@@H]2[C@]([C@H]3[C@@]4(C[C@H]([C@@H](C4)CC3)COC(=O)C(C)C)CC2)(CCC1)C)COC(=O)C
• Title of publication: ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens.
• Authors of publication: Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 17 - 21
• a: 21.962 ± 0.003 Å
• b: 7.6252 ± 0.0011 Å
• c: 15.114 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2531.1 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No