Information card for entry 1519745

Structure parameters

• Formula: C12 H17 B F4 N2
• Calculated formula: C12 H17 B F4 N2
• Title of publication: C12H17BF4N2
• Authors of publication: Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 964
• a: 10.5701 ± 0.0003 Å
• b: 11.0531 ± 0.0003 Å
• c: 11.7699 ± 0.0003 Å
• α: 88.065 ± 0.002°
• β: 89.074 ± 0.002°
• γ: 88.757 ± 0.002°
• Cell volume: 1373.83 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No