Information card for entry 2222077

Structure parameters

• Common name: meso-Dihydroguaiaretic acid
• Chemical name: 2,2'-Dimethoxy-4,4'-[<i>rel</i>-(2<i>R</i>,3<i>S</i>)-2,3-dimethylbutane- 1,4-diyl]diphenol
• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: O(c1c(O)ccc(c1)C[C@@H]([C@@H](Cc1cc(OC)c(O)cc1)C)C)C
• Title of publication: 2,2'-Dimethoxy-4,4'-[<i>rel</i>-(2<i>R</i>,3<i>S</i>)-2,3-dimethylbutane-1,4-diyl]diphenol
• Authors of publication: Salinas-Salazar, Carmen L.; Camacho-Corona, María del Rayo; Bernès, Sylvain; Waksman de Torres, Noemi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1279
• a: 5.1355 ± 0.0008 Å
• b: 12.024 ± 0.002 Å
• c: 30.158 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1862.2 ± 0.5 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes