Information card for entry 2014528

Structure parameters

• Common name: (±)-(4-Oxo-4H-chromen-2-yl)(phenyl)methyl acetate
• Chemical name: (±)-(4-Oxo-4H-chromen-2-yl)(phenyl)methyl acetate
• Formula: C18 H14 O4
• Calculated formula: C18 H14 O4
• Title of publication: (±)-(4-Oxo-4<i>H</i>-chromen-2-yl)(phenyl)methyl acetate
• Authors of publication: Małecka, Magdalena; Massa, Werner; Budzisz, Elżbieta
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o762 - o764
• a: 6.875 ± 0.0006 Å
• b: 25.3741 ± 0.0017 Å
• c: 8.3964 ± 0.0008 Å
• α: 90°
• β: 96.303 ± 0.008°
• γ: 90°
• Cell volume: 1455.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes