Information card for entry 2014913

Structure parameters

• Chemical name: 2',4-dihydroxy-α,β-dihydrochalcone
• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: O=C(c1c(O)cccc1)CCc1ccc(O)cc1
• Title of publication: 2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone and 2',4-dihydroxy-α,β-dihydrochalcone: supramolecular structures formed by O—H···O, C—H···O and stacking interactions
• Authors of publication: Marek, Jaromír; Lunerová, Kamila; Tou<sek, Jaromír; Suchý, Václav; Marek, Radek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o386 - o389
• a: 12.2802 ± 0.0017 Å
• b: 9.4904 ± 0.001 Å
• c: 11.5764 ± 0.0015 Å
• α: 90°
• β: 116.637 ± 0.016°
• γ: 90°
• Cell volume: 1206 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes