Information card for entry 1519534

Structure parameters

• Formula: C23 H39 B F4 N2
• Calculated formula: C23 H39 B F4 N2
• SMILES: [B](F)(F)(F)[F-].c1n(c2ccccc2[n+]1CCCCCCCC)CCCCCCCC
• Title of publication: C23H39BF4N2
• 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: 958
• a: 9.3064 ± 0.0001 Å
• b: 9.8372 ± 0.0002 Å
• c: 15.496 ± 0.0004 Å
• α: 96.2045 ± 0.0007°
• β: 102.311 ± 0.0008°
• γ: 115.4 ± 0.0014°
• Cell volume: 1219.63 ± 0.05 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: 0.0724
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No