Information card for entry 2004525

Structure parameters

• Chemical name: αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran
• Formula: C24 H32 O7
• Calculated formula: C24 H32 O7
• SMILES: O(c1cc(cc(OC)c1OC)[C@@H]1O[C@@H]([C@H]([C@H]1C)C)c1cc(OC)c(OC)c(OC)c1)C
• Title of publication: αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran
• Authors of publication: Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Othman, A. H.; Said, I. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 414 - 416
• a: 20.66 ± 0.002 Å
• b: 7.706 ± 0.001 Å
• c: 29.217 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4651.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.2237
• Weighted residual factors for significantly intense reflections: 0.1343
• Goodness-of-fit parameter for all reflections: 0.935
• Goodness-of-fit parameter for significantly intense reflections: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No