Information card for entry 2204418

Structure parameters

• Chemical name: 3,3-Dibenzylbenzo[b]furan-2(3H)-one
• Formula: C22 H18 O2
• Calculated formula: C22 H18 O2
• SMILES: O=C1Oc2c(C1(Cc1ccccc1)Cc1ccccc1)cccc2
• Title of publication: 3,3-Dibenzylbenzo[<i>b</i>]furan-2(3<i>H</i>)-one
• Authors of publication: Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1842 - o1843
• a: 12.65 ± 0.003 Å
• b: 15.488 ± 0.003 Å
• c: 8.772 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes