Information card for entry 1519732

Structure parameters

• Formula: C13 H19 B F4 N2
• Calculated formula: C13 H19 B F4 N2
• SMILES: [B](F)(F)(F)[F-].c12ccccc1[n+](cn2C)CCC(C)C
• Title of publication: C13H19BF4N2
• 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: 966
• a: 8.6774 ± 0.0003 Å
• b: 9.0176 ± 0.0003 Å
• c: 10.074 ± 0.0003 Å
• α: 107.625 ± 0.002°
• β: 96.197 ± 0.002°
• γ: 102.871 ± 0.002°
• Cell volume: 719.24 ± 0.04 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: 0.0575
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No