Information card for entry 2223334

Structure parameters

• Chemical name: 8-[(3,3-Dimethyloxiran-2-yl)methoxymethyl]-11-hydroxy-2-isopropenyl-5-methyl- 12-oxo-1,2,3,12-tetrahydropyrano[3,2-<i>a</i>]xanthen-1-yl acetate
• Formula: C28 H30 O8
• Calculated formula: C28 H30 O8
• SMILES: CO[C@@H]([C@@H]1OC1(C)C)c1ccc(c2c1oc1cc(C)c3c(c1c2=O)[C@H](OC(=O)C)[C@H](CO3)C(=C)C)O
• Title of publication: 8-[(3,3-Dimethyloxiran-2-yl)methoxymethyl]-11-hydroxy-2-isopropenyl-5-methyl-12-oxo-1,2,3,12-tetrahydropyrano[3,2-<i>a</i>]xanthen-1-yl acetate
• Authors of publication: Liangsakul, Jatupol; Srisurichan, Suphongphan; Muangsin, Nongnuj; Chaichit, Narongsak; Pornpakakul, Surachai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2558 - o2559
• a: 11.3323 ± 0.0001 Å
• b: 8.8199 ± 0.0002 Å
• c: 12.8741 ± 0.0003 Å
• α: 90°
• β: 91.765 ± 0.001°
• γ: 90°
• Cell volume: 1286.15 ± 0.04 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: 0.0891
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes