Information card for entry 1558956

Structure parameters

• Common name: (±)-1,2-Bis(3,4-dimethoxyphenyl)-1,2-ethanediol
• Formula: C18 H22 O6
• Calculated formula: C18 H22 O6
• SMILES: c1(cc(c(OC)cc1)OC)[C@@H]([C@H](c1cc(c(cc1)OC)OC)O)O
• Title of publication: Preparation and Crystal Structure of (±)-1,2-Bis(3,4-dimethoxyphenyl)-1,2-ethanediol
• Authors of publication: Karlsson, Olov; Lundquist, Knut; Stomberg, Rolf
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 728 - 733
• a: 12.309 ± 0.005 Å
• b: 12.309 ± 0.005 Å
• c: 9.665 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1268.2 ± 0.8 ų
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 3
• Space group number: 171
• Hermann-Mauguin space group symbol: P 62
• Hall space group symbol: P 62
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.65
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No