Information card for entry 2230454

Structure parameters

• Chemical name: 4,6-Bis(4-fluorophenyl)-2-phenyl-1<i>H</i>-indazol-3(2<i>H</i>)-one
• Formula: C25 H16 F2 N2 O
• Calculated formula: C25 H16 F2 N2 O
• SMILES: Fc1ccc(c2c3C(=O)N(Nc3cc(c2)c2ccc(F)cc2)c2ccccc2)cc1
• Title of publication: 4,6-Bis(4-fluorophenyl)-2-phenyl-1<i>H</i>-indazol-3(2<i>H</i>)-one
• Authors of publication: Butcher, R. J.; Akkurt, M.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1346 - o1347
• a: 15.2947 ± 0.0004 Å
• b: 11.6259 ± 0.0002 Å
• c: 20.9388 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3723.23 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes