Information card for entry 2240016

Structure parameters

• Chemical name: 3-[4-(Benzyloxy)phenyl]-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one
• Formula: C26 H19 O3
• Calculated formula: C26 H19 O3
• SMILES: c1ccccc1COc1ccc(C2CC(=O)c3c4ccccc4ccc3O2)cc1
• Title of publication: Crystal structure of 3-[4-(benzyloxy)phenyl]-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one
• Authors of publication: Vasanthi, R.; Reuben Jonathan, D.; Ezhilarasi, K. S.; Sathya, S.; Usha, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1116 - o1117
• a: 6.9632 ± 0.0004 Å
• b: 35.846 ± 0.002 Å
• c: 7.7879 ± 0.0005 Å
• α: 90°
• β: 100.375 ± 0.003°
• γ: 90°
• Cell volume: 1912.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes