Information card for entry 2228309

Structure parameters

• Common name: 9α-Acetoxy-1β,10α-epoxyparthenolide
• Chemical name: 1a,5-dimethyl-8-methylene-9-oxoperhydro-4β,5α- epoxyoxireno[9,10]cyclodeca[1,2-b]furan-6α-yl acetate
• Formula: C17 H22 O6
• Calculated formula: C17 H22 O6
• SMILES: C[C@]12[C@@H](CC[C@]3(C)[C@@H]([C@@H]4[C@@H](C[C@H]1OC(=O)C)C(=C)C(=O)O4)O3)O2
• Title of publication: 9α-Acetoxy-1β,10α-epoxyparthenolide
• Authors of publication: Moumou, Mohamed; Akssira, Mohamed; El Hakmaoui, Ahmed; Elammari, Lahcen; Benharref, Ahmed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3239
• a: 8.239 ± 0.0003 Å
• b: 10.6482 ± 0.0004 Å
• c: 9.4633 ± 0.0003 Å
• α: 90°
• β: 102.039 ± 0.002°
• γ: 90°
• Cell volume: 811.96 ± 0.05 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: 0.043
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1146
• 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