Information card for entry 2235595

Structure parameters

• Chemical name: 4-(2-Benzoylbenzoyl)-<i>N</i>,<i>N</i>-diphenylaniline
• Formula: C32 H23 N O2
• Calculated formula: C32 H23 N O2
• SMILES: c1(ccccc1C(=O)c1ccccc1)C(=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
• Title of publication: 4-(2-Benzoylbenzoyl)-<i>N</i>,<i>N</i>-diphenylaniline
• Authors of publication: Narayanan, P.; Sethusankar, K.; Nandakumar, M.; Mohanakrishnan, A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2035
• a: 10.7599 ± 0.0003 Å
• b: 13.0389 ± 0.0003 Å
• c: 17.9453 ± 0.0005 Å
• α: 90.447 ± 0.002°
• β: 98.415 ± 0.002°
• γ: 108.904 ± 0.002°
• Cell volume: 2352.13 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes