Information card for entry 2200521

Structure parameters

• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• SMILES: O=C(/C=C/c1c(O)cccc1)c1c(O)cccc1
• Title of publication: 2,2'-Dihydroxychalcone
• Authors of publication: Kashino, Setsuo; Tanaka, Mitsuru; Todorov, Todor Dimitrov
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o735 - o737
• a: 23.63 ± 0.005 Å
• b: 5.582 ± 0.002 Å
• c: 18.004 ± 0.006 Å
• α: 90°
• β: 95.04 ± 0.02°
• γ: 90°
• Cell volume: 2365.6 ± 1.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes