Information card for entry 2008491

Structure parameters

• Chemical name: 10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10- octahydroisobenzofuro[5,6-g][1,4]benzodioxin-7-one
• Formula: C23 H24 O8
• Calculated formula: C23 H24 O8
• SMILES: O=C1OC[C@H]2[C@@H](O)c3cc4OCCOc4cc3[C@@H]([C@H]12)c1cc(OC)c(OC)c(OC)c1.O=C1OC[C@@H]2[C@H](O)c3cc4OCCOc4cc3[C@H]([C@@H]12)c1cc(OC)c(OC)c(OC)c1
• Title of publication: 10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10-octahydroisobenzofuro[5,6-<i>g</i>][1,4]benzodioxin-7-one
• Authors of publication: A. Sergi Capilla; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 786 - 787
• a: 8.608 ± 0.003 Å
• b: 10.393 ± 0.004 Å
• c: 12.455 ± 0.005 Å
• α: 109.36 ± 0.04°
• β: 102.24 ± 0.03°
• γ: 92.1 ± 0.03°
• Cell volume: 1020.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes