Information card for entry 2217360

Structure parameters

• Common name: <i>Euphorbia</i> Factor L~8~
• Chemical name: (2<i>S</i>*,3<i>S</i>*,4<i>R</i>*,5<i>R</i>*,9<i>S</i>*,11<i>S</i>*, 15<i>R</i>*)-5,15-diacetoxy-3-nicotinoyloxy-14-oxolathyra-6(17),12(<i>E</i>)- diene
• Formula: C30 H37 N O7
• Calculated formula: C30 H37 N O7
• SMILES: O([C@H]1[C@H](C[C@@]2(OC(=O)C)[C@H]1[C@@H](OC(=O)C)C(=C)CC[C@@H]1C([C@@H]1C=C(C2=O)C)(C)C)C)C(=O)c1cccnc1
• Title of publication: <i>Euphorbia</i> factor L~8~: a diterpenoid from the seeds of <i>Euphorbia lathyris</i>
• Authors of publication: Jiao, Wei; Mao, Zhi-hua; Dong, Wei-wei; Deng, Mei-cai; Lu, Run-hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o331 - o331
• a: 10.162 ± 0.006 Å
• b: 15.249 ± 0.005 Å
• c: 18.802 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2914 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1516
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes