Information card for entry 1552629

Structure parameters

• Formula: C33 H40 O11
• Calculated formula: C33 H40 O11
• SMILES: O(C(=O)C)[C@@H]1[C@@H](OC(=O)C)C(=O)C(/C=C/[C@@H](C(=O)[C@]2(O)[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](C2)C)[C@@H](OC(=O)C)C1=C)C)(C)C
• Title of publication: Jatrophane Diterpenoids from Euphorbia glomerulans.
• Authors of publication: Hasan, Aobulikasimu; Liu, Ge-Yu; Hu, Rui; Aisa, H. A.
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 724 - 734
• a: 9.8481 ± 0.0006 Å
• b: 17.0966 ± 0.001 Å
• c: 10.3379 ± 0.0006 Å
• α: 90°
• β: 114.982 ± 0.003°
• γ: 90°
• Cell volume: 1577.73 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0295
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No