Information card for entry 1544845

Structure parameters

• Chemical name: 3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one
• Formula: C17 H14 O3
• Calculated formula: C17 H14 O3
• SMILES: C1(=O)c2ccccc2OC(=C1OC)c1ccc(cc1)C
• Title of publication: 3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one
• Authors of publication: Koh, Dongsoo
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 12
• Pages of publication: x162019
• a: 6.2439 ± 0.0002 Å
• b: 7.9982 ± 0.0003 Å
• c: 27.0113 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1348.94 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes