Information card for entry 7151242

Structure parameters

• Common name: 2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa- bicyclo(3.3.0)octane
• Chemical name: 2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa-bicyclo[3.3.0]octane
• Formula: C20 H18 O6
• Calculated formula: C20 H18 O6
• SMILES: [C@@H]12[C@@H](OC[C@@H]1[C@@H](OC2)c1cc2c(cc1)OCO2)c1cc2c(cc1)OCO2.[C@H]12[C@H](OC[C@H]1[C@H](OC2)c1cc2c(cc1)OCO2)c1cc2c(cc1)OCO2
• Title of publication: The dihydrofuran template approach to furofuran synthesis.
• Authors of publication: Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 15
• Pages of publication: 2912 - 2927
• a: 8.1928 ± 0.001 Å
• b: 7.4438 ± 0.0009 Å
• c: 26.234 ± 0.003 Å
• α: 90°
• β: 96.98 ± 0.01°
• γ: 90°
• Cell volume: 1588 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No