Information card for entry 1559023

Structure parameters

• Chemical name: 3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one
• Formula: C20 H16 O3
• Calculated formula: C20 H16 O3
• SMILES: O=C1c2c3ccccc3ccc2OC(C1)c1c(cccc1)OC
• Title of publication: 3-(2-Methoxyphenyl)-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: 2020
• Journal volume: 5
• Journal issue: 9
• Pages of publication: x201209
• a: 12.4519 ± 0.0005 Å
• b: 7.8785 ± 0.0003 Å
• c: 15.668 ± 0.0007 Å
• α: 90°
• β: 105.253 ± 0.0016°
• γ: 90°
• Cell volume: 1482.92 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes