Information card for entry 2200850

Structure parameters

• Chemical name: threo-2-(2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1,3-propanediol
• Formula: C19 H24 O7
• Calculated formula: C19 H24 O7
• SMILES: O(c1cc(ccc1OC)[C@@H](O)[C@H](Oc1c(OC)cccc1OC)CO)C.O(c1cc(ccc1OC)[C@H](O)[C@@H](Oc1c(OC)cccc1OC)CO)C
• Title of publication: <i>threo</i>-2-(2,6-Dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1,3-propanediol
• Authors of publication: Langer, Vratislav; Lundquist, Knut; Stomberg, Rolf; von Unge, Sverker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o90 - o92
• a: 6.1632 ± 0.0002 Å
• b: 9.1891 ± 0.0003 Å
• c: 15.9231 ± 0.0005 Å
• α: 98.913 ± 0.001°
• β: 90.664 ± 0.001°
• γ: 97.328 ± 0.001°
• Cell volume: 883.17 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes