Information card for entry 7118463

Structure parameters

• Formula: C14 H20 F3 N O3
• Calculated formula: C14 H20 F2.997 N O3
• Title of publication: The synthesis of sterically hindered amines by a direct reductive amination of ketones.
• Authors of publication: Yagafarov, Niyaz Z.; Kolesnikov, Pavel N.; Usanov, Dmitry L.; Novikov, Valentin V.; Nelyubina, Yulia V.; Chusov, Denis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1397 - 1400
• a: 7.7764 ± 0.0012 Å
• b: 15.755 ± 0.002 Å
• c: 25.521 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3126.8 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No