Information card for entry 2226088

Structure parameters

• Common name: Xyloccensin E or phragmalin triacetate
• Chemical name: (1<i>R</i>,4a<i>R</i>,4b<i>R</i>,6<i>S</i>,7a<i>R</i>, 8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,11a<i>R</i>,11b<i>S</i>,13a<i>R</i>, 16<i>R</i>)-methyl 8,9,16-triacetoxy-1-(3-furyl)decahydro-6,10,11a,13a-tetramethyl-3-oxo- 8<i>H</i>-6,11b-epoxy-4b,8:7a,10-dimethano-1<i>H</i>- benzopyrano[5,6-<i>d</i>][1,3]benzodioxepine-11-acetate
• Formula: C35 H42 O14
• Calculated formula: C35 H42 O14
• Title of publication: Xyloccensin E
• Authors of publication: Sarigaputi, Chanin; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1348 - o1349
• a: 17.7635 ± 0.0005 Å
• b: 17.7635 ± 0.0005 Å
• c: 19.6294 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5364.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes