Information card for entry 4117446

Structure parameters

• Formula: C7 H15 B2 Cl F8 N2
• Calculated formula: C7 H15 B2 Cl F8 N2
• Title of publication: Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons
• Authors of publication: Quentin Michaudel; Damien Thevenet; Phil S. Baran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2547 - 2550
• a: 13.057 ± 0.003 Å
• b: 12.612 ± 0.003 Å
• c: 15.7 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2585.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.105
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No