Information card for entry 1519535

Structure parameters

• Formula: C19 H31 B F4 N2
• Calculated formula: C19 H31 B F4 N2
• SMILES: [B](F)(F)(F)[F-].n1(c[n+](c2c1cccc2)CCCCCC)CCCCCC
• Title of publication: C19H31BF4N2
• Authors of publication: Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 959
• a: 9.506 ± 0.0003 Å
• b: 9.9913 ± 0.0005 Å
• c: 13.4646 ± 0.0008 Å
• α: 71.383 ± 0.002°
• β: 87.972 ± 0.003°
• γ: 62.935 ± 0.003°
• Cell volume: 1070.01 ± 0.1 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: 0.1401
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No