Information card for entry 2207715

Structure parameters

• Chemical name: 2',4'-Dihydroxy-5',6'-dimethoxychalcone
• Formula: C17 H16 O5
• Calculated formula: C17 H16 O5
• SMILES: O=C(/C=C/c1ccccc1)c1c(OC)c(OC)c(O)cc1O
• Title of publication: 2',4'-Dihydroxy-5',6'-dimethoxychalcone
• Authors of publication: Usman, Hanapi; Jalaluddin, Muhammad N.; Hakim, Euis H.; Yana, S.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o209 - o211
• a: 12.36 ± 0.002 Å
• b: 7.1688 ± 0.0014 Å
• c: 33.275 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2948.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes