Information card for entry 2206913

Structure parameters

• Common name: Dihydroxydimethoxydihydrochalcone
• Chemical name: 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: Oc1cc(O)c(C(=O)CCc2ccc(OC)cc2)c(OC)c1
• Title of publication: A second monoclinic polymorph of 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
• Authors of publication: Ng Shea-Lin; Ibrahim Abdul Razak; Hoong-Kun Fun; Sompong Boonsri; Suchada Chantrapromma; Uma Prawat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3234 - o3236
• a: 9.7048 ± 0.0002 Å
• b: 28.9048 ± 0.0005 Å
• c: 13.492 ± 0.0002 Å
• α: 90°
• β: 127.77 ± 0.001°
• γ: 90°
• Cell volume: 2991.72 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1158
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes