Information card for entry 1557691

Structure parameters

• Common name: trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine
• Formula: C20 H20 O7
• Calculated formula: C20 H20 O7
• SMILES: O=C(C)Oc1ccc(cc1OC)[C@H]1Oc2c(O[C@@H]1C)c(OC(=O)C)ccc2.O=C(C)Oc1ccc(cc1OC)[C@@H]1Oc2c(O[C@H]1C)c(OC(=O)C)ccc2
• Title of publication: Synthesis and Crystal Structure of trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine
• Authors of publication: Lariucci, Carlito; Inumaru, Aurea Tamae; Barata, Lauro Euclides Soares; de Azevedo, Neucirio Ricardo; Ferri, Pedro Henrique
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 1025 - 1029
• a: 11.524 ± 0.002 Å
• b: 11.959 ± 0.002 Å
• c: 14.284 ± 0.001 Å
• α: 90°
• β: 109.14 ± 0.01°
• γ: 90°
• Cell volume: 1859.7 ± 0.5 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No