Information card for entry 1534095

Structure parameters

• Formula: C32 H40 N0 O8
• Calculated formula: C32 H40 O8
• SMILES: O(C(=O)Cc1ccccc1)[C@H]1[C@H]2[C@H](OC(=O)C)[C@@]3(OC3)CC[C@H]3C([C@H]3C=C(C(=O)[C@]2(OC(=O)C)C[C@H]1C)C)(C)C
• Title of publication: Bioactivity-guided isolation of anticancer compounds from Euphorbia lathyris
• Authors of publication: Yang, Shanshan; Sun, Jiachen; Lu, Hong; Ma, Hong; Zhang, Yaozhou
• Journal of publication: Anal. Methods
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 9568
• a: 8.2474 ± 0.0016 Å
• b: 12.543 ± 0.003 Å
• c: 29.019 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3001.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No