Information card for entry 2212277

Structure parameters

• Chemical name: 4'-hydroxyflavanone
• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• Title of publication: Disordered 4'-hydroxyflavanone
• Authors of publication: Agata Białońska; Zbigniew Ciunik; Edyta Kostrzewa-Susłow; Jadwiga Dmochowska-Gładysz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o432 - o433
• a: 5.247 ± 0.002 Å
• b: 15.374 ± 0.003 Å
• c: 14.87 ± 0.005 Å
• α: 90°
• β: 102.62 ± 0.03°
• γ: 90°
• Cell volume: 1170.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1175
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No