Information card for entry 1567638

Structure parameters

• Chemical name: 3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one
• Formula: C21 H18 O4
• Calculated formula: C21 H18 O4
• Title of publication: 3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one
• Authors of publication: Sung, Jiha
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 9
• Pages of publication: x220885
• a: 8.3312 ± 0.0014 Å
• b: 9.6506 ± 0.0016 Å
• c: 11.797 ± 0.002 Å
• α: 94.261 ± 0.004°
• β: 107.335 ± 0.004°
• γ: 112.326 ± 0.003°
• Cell volume: 818.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes