Information card for entry 2200904

Structure parameters

• Chemical name: erythro-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1,3- propanediol
• Formula: C19 H24 O8
• Calculated formula: C19 H24 O8
• SMILES: O(c1cc(cc(OC)c1O)[C@@H](O)[C@@H](Oc1c(OC)cccc1OC)CO)C.O(c1cc(cc(OC)c1O)[C@H](O)[C@H](Oc1c(OC)cccc1OC)CO)C
• Title of publication: <i>erythro</i>-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-propanediol
• Authors of publication: Langer, Vratislav; Li, Shiming; Lundquist, Knut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o42 - o44
• a: 12.9064 ± 0.0005 Å
• b: 15.6222 ± 0.0006 Å
• c: 9.914 ± 0.0004 Å
• α: 90°
• β: 109.837 ± 0.001°
• γ: 90°
• Cell volume: 1880.31 ± 0.13 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: 0.0912
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No