Information card for entry 2239254

Structure parameters

• Common name: 3-Diphenylaminoisobenzofuran-1(3H)-one
• Chemical name: 3-(Diphenylamino)isobenzofuran-1(3<i>H</i>)-one
• Formula: C20 H15 N O2
• Calculated formula: C20 H15 N O2
• SMILES: O=C1OC(N(c2ccccc2)c2ccccc2)c2ccccc12
• Title of publication: 3-(Diphenylamino)isobenzofuran-1(3<i>H</i>)-one
• Authors of publication: Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Ellena, Javier; Tenorio, Juan C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o490
• a: 19.144 ± 0.0013 Å
• b: 8.9363 ± 0.0006 Å
• c: 9.1111 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1558.7 ± 0.16 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes