Information card for entry 2227319

Structure parameters

• Common name: 9β-Hydroxy-1β,10α-epoxyparthenolide
• Chemical name: 5-hydroxy-1a,4a-dimethyl-7- methyleneperhydrodioxireno[5,6:9,10]cyclodeca[1,2-<i>b</i>]furan-8-one
• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• SMILES: [C@H]12CC[C@]3([C@H]([C@H]4[C@H](C[C@H]([C@]1(C)O2)O)C(=C)C(=O)O4)O3)C
• Title of publication: 9β-Hydroxy-1β,10α-epoxyparthenolide
• Authors of publication: Moumou, Mohamed; Akssira, Mohamed; El Ammari, Lahcen; Benharref, Ahmed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2395
• a: 9.2295 ± 0.0003 Å
• b: 9.5431 ± 0.0003 Å
• c: 9.3787 ± 0.0003 Å
• α: 90°
• β: 118.662 ± 0.002°
• γ: 90°
• Cell volume: 724.84 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0417
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes