Information card for entry 2200728

Structure parameters

• Common name: Erythro-2-(2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1,3-propandiol
• Formula: C20 H26 O8
• Calculated formula: C20 H26 O8
• SMILES: O(c1cc(cc(OC)c1OC)[C@@H](O)[C@@H](Oc1c(OC)cccc1OC)CO)C.O(c1cc(cc(OC)c1OC)[C@H](O)[C@H](Oc1c(OC)cccc1OC)CO)C
• Title of publication: <i>erythro</i>-2-(2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1,3-propanediol
• Authors of publication: Langer, Vratislav; Lundquist, Knut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1219 - o1221
• a: 11.7627 ± 0.0002 Å
• b: 9.622 ± 0.0002 Å
• c: 18.7387 ± 0.0003 Å
• α: 90°
• β: 103.034 ± 0.001°
• γ: 90°
• Cell volume: 2066.22 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes