Information card for entry 2217990

Structure parameters

• Common name: 1,3-Diphenylisobenzofuran
• Chemical name: 1,3-diphenyl-2-benzofuran
• Formula: C20 H14 O
• Calculated formula: C20 H14 O
• SMILES: o1c(c2ccccc2c1c1ccccc1)c1ccccc1
• Title of publication: 1,3-Diphenylisobenzofuran
• Authors of publication: Boeré, René T.; Dibble, Peter W.; Fischer, Kristapher E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o686
• a: 12.8198 ± 0.0017 Å
• b: 5.5273 ± 0.0008 Å
• c: 19.945 ± 0.003 Å
• α: 90°
• β: 106.48 ± 0.002°
• γ: 90°
• Cell volume: 1355.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes