Information card for entry 2014434

Structure parameters

• Common name: Mikanolide
• Chemical name: 7,10a-dimethyl-1a,1b,2a,6a,7,9a,10,10a-octahydro-4H-6,3- methenofuro[3,2-c]bisoxireno[f,h]oxacycloundecin-4,8(6H)-dione or 1,10:2,3-diepoxy-6,8-dihydroxygermacr-4-ene-11-vinyl-12,14- di-γ-lactone
• Formula: C15 H14 O6
• Calculated formula: C15 H14 O6
• SMILES: O1[C@H]2[C@@H]3O[C@]3(C[C@@H]3OC(=O)C(=C)[C@H]3[C@@H]3OC(=O)C([C@@H]12)=C3)C
• Title of publication: Mikanolide from Jamaican <i>Mikania micrantha</i>
• Authors of publication: Bakir, Mohammed; Facey, Petrea C.; Hassan, Ishmael; Mulder, Willem H.; Porter, Roy B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o798 - o800
• a: 8.909 ± 0.0012 Å
• b: 7.184 ± 0.0008 Å
• c: 10.494 ± 0.0011 Å
• α: 90°
• β: 98.83 ± 0.009°
• γ: 90°
• Cell volume: 663.68 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes