Information card for entry 1543725

Structure parameters

• Formula: C33 H44 O9
• Calculated formula: C33 H44 O9
• SMILES: O([C@H]1[C@H](C[C@@]2(O)[C@H]1[C@@H](OC(=O)[C@H](C)C(C)C)C(=C)C[C@]1(O)C(=O)C(C[C@H]1[C@@](O)(C2=O)C)(C)C)C)C(=O)c1ccccc1
• Title of publication: Euphorbesulins A-P, Structurally Diverse Diterpenoids from Euphorbia esula.
• Authors of publication: Zhou, Bin; Wu, Yan; Dalal, Seema; Cassera, Maria B.; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 8
• Pages of publication: 1952 - 1961
• a: 13.2223 ± 0.0003 Å
• b: 19.43 ± 0.0004 Å
• c: 13.7491 ± 0.0003 Å
• α: 90°
• β: 103.14 ± 0.001°
• γ: 90°
• Cell volume: 3439.79 ± 0.13 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0772
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No