Information card for entry 1520145

Structure parameters

• Formula: C22 H25 B F4 N2 O
• Calculated formula: C22 H25 B F4 N2 O
• Title of publication: C22H25BF4N2O
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Horton, Peter N.; Tomkinson, N.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 536
• a: 9.7751 ± 0.0003 Å
• b: 12.8596 ± 0.0004 Å
• c: 16.8243 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2114.88 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No