Information card for entry 4020156

Structure parameters

• Formula: C10 H19 B F3 N
• Calculated formula: C10 H19 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: 10.6045 ± 0.001 Å
• b: 11.0631 ± 0.001 Å
• c: 19.7482 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2316.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No