Information card for entry 2200187

Structure parameters

• Chemical name: N,N-dimethyl-5-dimethylamino-3-(pyrrole)-2,4-pentadieniminium tetrafluoroborate
• Formula: C13 H20 B F4 N3
• Calculated formula: C13 H20 B F4 N3
• Title of publication: <i>N</i>,<i>N</i>-Dimethyl-5-dimethylamino-3-(1-pyrrolyl)-2,4-pentadieniminium tetrafluoroborate
• Authors of publication: Ferguson, George; McAlees, Alan J.; McCrindle, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o295 - o297
• a: 14.882 ± 0.003 Å
• b: 10.366 ± 0.002 Å
• c: 24.064 ± 0.003 Å
• α: 90°
• β: 121.987 ± 0.011°
• γ: 90°
• Cell volume: 3148.6 ± 1 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes