Information card for entry 1504445

Structure parameters

• Formula: C20 H30 O5
• Calculated formula: C20 H30 O5
• SMILES: O[C@H]1C[C@@H]2C(CCC[C@]2([C@H]2[C@@]1(O)[C@H]1OC(=O)[C@H]([C@@H]1C(=O)C2)C)C)(C)C
• Title of publication: Diterpenoids from the roots of Suregada glomerulata.
• Authors of publication: Yan, Ren-Yi; Tan, Yong-Xia; Cui, Xi-Qiang; Chen, Ruo-Yun; Yu, De-Quan
• Journal of publication: Journal of natural products
• Year of publication: 2008
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 195 - 198
• a: 7.544 ± 0.001 Å
• b: 6.066 ± 0.001 Å
• c: 20.579 ± 0.001 Å
• α: 90°
• β: 99.92 ± 0.04°
• γ: 90°
• Cell volume: 927.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No