Information card for entry 2216840

Structure parameters

• Common name: (2S*,3S*,4R*,5R*,7R*,9S*,11S*,15R*)-5,15-diacetoxy-14- oxolathyra-6(17),12(E)-diene-3,7-diyl dibenzoate
• Formula: C38 H42 O9
• Calculated formula: C38 H42 O9
• SMILES: O=C(O[C@H]1[C@H](C[C@@]2(OC(=O)C)[C@H]1[C@@H](OC(=O)C)C(=C)[C@H](OC(=O)c1ccccc1)C[C@@H]1C([C@@H]1C=C(C2=O)C)(C)C)C)c1ccccc1
• Title of publication: <i>Euphorbia</i> Factor <i>L</i>~2~: an ester of 7-hydroxylathyrol
• Authors of publication: Wei Jiao; Zhi-hua Mao; Run-hua Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4613 - o4613
• a: 13.418 ± 0.006 Å
• b: 14.989 ± 0.004 Å
• c: 18.126 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3646 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.1918
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes