Information card for entry 2236488

Structure parameters

• Chemical name: 4,4'-[<i>rel</i>-(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4- Dimethyltetrahydrofuran-2,5-diyl]diphenol
• Formula: C18 H20 O3
• Calculated formula: C18 H20 O3
• SMILES: O1[C@H]([C@@H]([C@H]([C@@H]1c1ccc(O)cc1)C)C)c1ccc(O)cc1
• Title of publication: 4,4'-[(2<i>R</i>*,3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-3,4-Dimethyltetrahydrofuran-2,5-diyl]diphenol
• Authors of publication: Favela-Hernández, Juan Manuel de Jesús; Camacho-Corona, María del Rayo; Bernès, Sylvain; Flores-Alamo, Marcos
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3019 - o3020
• a: 6.4225 ± 0.0004 Å
• b: 12.4973 ± 0.0007 Å
• c: 9.8176 ± 0.0007 Å
• α: 90°
• β: 101.243 ± 0.006°
• γ: 90°
• Cell volume: 772.88 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes