Information card for entry 2007728

Structure parameters

• Chemical name: 2,6-dihydroxy-4-(6'-hydroxy-2',4'-dimethoxy-3'-methylbenzoyloxy)-3- methylbenzoate
• Formula: C19 H20 O9
• Calculated formula: C19 H20 O9
• SMILES: O(c1c(c(O)c(c(O)c1)C(=O)OC)C)C(=O)c1c(OC)cc(OC)c(c1O)C
• Title of publication: Methyl 2,6-Dihydroxy-4-(2-hydroxy-4,6-dimethoxy-3-methylbenzoyloxy)-3-methylbenzoate
• Authors of publication: Kan Chantrapromma; Rapeeporn Sortiruk; Suchada Chantrapromma; Chanita Ponglimanont; Hoong-Kun Fun; Kandasamy Chinnakali
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1494 - 1496
• a: 8.4255 ± 0.0002 Å
• b: 8.5771 ± 0.0002 Å
• c: 14.5531 ± 0.0002 Å
• α: 89.692 ± 0.001°
• β: 85.374 ± 0.002°
• γ: 61.295 ± 0.001°
• Cell volume: 918.78 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections: 0.1493
• Weighted residual factors for significantly intense reflections: 0.1313
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No