Information card for entry 2200737

Structure parameters

• Chemical name: 1,1,1,3,3,3-Hexafluoro-2-(4-nitrophenyl)-N-phenylisopropylamine
• Formula: C15 H10 F6 N2 O2
• Calculated formula: C15 H10 F6 N2 O2
• SMILES: C(C(F)(F)F)(C(F)(F)F)(c1ccc(cc1)N(=O)=O)Nc1ccccc1
• Title of publication: 1,1,1,3,3,3-Hexafluoro-2-(4-nitrophenyl)-<i>N</i>-phenylisopropylamine
• Authors of publication: Pavkovic, Stephen F.; Nelson, Derek W.; Owens, James R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o941 - o942
• a: 16.903 ± 0.003 Å
• b: 10.182 ± 0.002 Å
• c: 17.971 ± 0.003 Å
• α: 90°
• β: 104.9 ± 0.01°
• γ: 90°
• Cell volume: 2988.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes