Information card for entry 1519543

Structure parameters

• Formula: C31 H55 B F4 N2
• Calculated formula: C31 H55 B F4 N2
• SMILES: c1n(c2c(cccc2)[n+]1CCCCCCCCCCCC)CCCCCCCCCCCC.[B](F)(F)(F)[F-]
• Title of publication: C31H55BF4N2
• 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: 953
• a: 9.2786 ± 0.0002 Å
• b: 9.7633 ± 0.0002 Å
• c: 19.4797 ± 0.0005 Å
• α: 93.186 ± 0.002°
• β: 94.985 ± 0.001°
• γ: 114.742 ± 0.001°
• Cell volume: 1588.34 ± 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: 0.1222
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No