Information card for entry 2239391

Structure parameters

• Common name: Melampomagnolide B
• Chemical name: 4-(((1a<i>R</i>,7a<i>S</i>,10a<i>S</i>,10b<i>S</i>,<i>E</i>)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-5-yl)methoxy)-4-oxobutanoic acid
• Formula: C19 H24 O7
• Calculated formula: C19 H24 O7
• SMILES: OC(=O)CCC(=O)OC/C1=C/CC[C@@]2(C)O[C@@H]2[C@@H]2[C@@H](CC1)C(=C)C(=O)O2
• Title of publication: Monosuccinate ester of melampomagnolide B
• Authors of publication: Janganati, Venumadhav; Penthala, Narsimha Reddy; Madadi, Nikhil Reddy; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o372 - o373
• a: 8.7866 ± 0.0002 Å
• b: 9.6082 ± 0.0002 Å
• c: 21.0088 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1773.63 ± 0.07 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.024
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes