Information card for entry 4020144

Structure parameters

• Formula: C9 H17 B F2 N2
• Calculated formula: C9 H17 B F2 N2
• Authors of publication: Kyung-Ho Park; Will J. Marshall
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 2075 - 2081
• a: 7.38 ± 0.004 Å
• b: 13.236 ± 0.007 Å
• c: 11.185 ± 0.006 Å
• α: 90°
• β: 90.073 ± 0.009°
• γ: 90°
• Cell volume: 1092.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No