Information card for entry 2005385

Structure parameters

• Chemical name: Bis[5,5-di(4'-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] ether.
• Formula: C40 H46 O7
• Calculated formula: C40 H46 O7
• SMILES: [C@H]1(C(CC(O1)(c1ccc(cc1)OC)c1ccc(cc1)OC)(C)C)O[C@@H]1C(CC(O1)(c1ccc(cc1)OC)c1ccc(cc1)OC)(C)C.[C@@H]1(C(CC(O1)(c1ccc(cc1)OC)c1ccc(cc1)OC)(C)C)O[C@H]1C(CC(O1)(c1ccc(cc1)OC)c1ccc(cc1)OC)(C)C
• Title of publication: Bis[5,5-bis(4-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] Ether
• Authors of publication: Barnes, J. C.; Horspool, W. M.; Hynd, G.; Armesto, D.; Ramos, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2296 - 2298
• a: 15.2841 ± 0.0011 Å
• b: 8.3869 ± 0.0013 Å
• c: 28.3216 ± 0.0009 Å
• α: 90°
• β: 102.104 ± 0.014°
• γ: 90°
• Cell volume: 3549.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.0967
• Goodness-of-fit parameter for all reflections: 0.822
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No