Information card for entry 2201694

Structure parameters

• Chemical name: 1-(3,5-dimethoxyphenyl)-2-[2-(3,5-dimethoxyphenyl)hydroxymethyl-4- methoxyphenyl]ethanol
• Formula: C26 H30 O7
• Calculated formula: C26 H30 O7
• SMILES: O[C@@H](c1cc(OC)cc(OC)c1)Cc1ccc(OC)cc1[C@H](O)c1cc(OC)cc(OC)c1.O[C@H](c1cc(OC)cc(OC)c1)Cc1ccc(OC)cc1[C@@H](O)c1cc(OC)cc(OC)c1
• Title of publication: 1-(3,5-Dimethoxyphenyl)-2-{2-[(3,5-dimethoxyphenyl)hydroxymethyl]-4-methoxyphenyl}ethanol
• Authors of publication: Yin, Qiang; Zhang, Wen-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1367 - o1369
• a: 12.382 ± 0.009 Å
• b: 23.7 ± 0.015 Å
• c: 8.664 ± 0.006 Å
• α: 90°
• β: 104.313 ± 0.012°
• γ: 90°
• Cell volume: 2464 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.05031
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes