Information card for entry 4020153

Structure parameters

• Formula: C17 H25 B F3 N
• Calculated formula: C17 H25 B F3 N
• Authors of publication: Yun Ma; Emil Lobkovsky; David B. Collum
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 2335 - 2337
• a: 7.8196 ± 0.0009 Å
• b: 11.4374 ± 0.0012 Å
• c: 19.142 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1712 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No