Information card for entry 4085356

Structure parameters

• Formula: C15 H14 F2 N2 O
• Calculated formula: C15 H14 F2 N2 O
• SMILES: c1(ccc(cc1)F)CNC(=O)NCc1ccc(cc1)F
• Title of publication: SelectiveN-Methylation of Aliphatic Amines with CO2and Hydrosilanes Using Nickel-Phosphine Catalysts
• Authors of publication: González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 763
• a: 4.6293 ± 0.0007 Å
• b: 6.1725 ± 0.0012 Å
• c: 23.957 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 684.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No