Information card for entry 7117559

Structure parameters

• Formula: C22 H17 F2 N
• Calculated formula: C22 H17 F2 N
• SMILES: C(=N\C=C/c1ccc(C)cc1)(c1ccc(cc1)F)c1ccc(cc1)F
• Title of publication: Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.
• Authors of publication: Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 62
• Pages of publication: 12419 - 12422
• a: 8.758 ± 0.0007 Å
• b: 9.0189 ± 0.0007 Å
• c: 12.1251 ± 0.0009 Å
• α: 77.13 ± 0.004°
• β: 80.995 ± 0.004°
• γ: 74.079 ± 0.005°
• Cell volume: 893.19 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1136
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No