Information card for entry 2207817

Structure parameters

• Chemical name: 1-(N,N-Diethylamino)-2,3-diphenylcyclopropenylium tetrafluoroborate
• Formula: C19 H20 B F4 N
• Calculated formula: C19 H20 B F4 N
• SMILES: [B](F)(F)(F)[F-].C(C)[N+](CC)=C1C(=C1c1ccccc1)c1ccccc1
• Title of publication: 1-(<i>N</i>,<i>N</i>-Diethylamino)-2,3-diphenylcyclopropenylium tetrafluoroborate
• Authors of publication: Rozycka-Sokolowska, Ewa; Girek, Tomasz; Marciniak, Bernard; Pavlyuk, Volodymyr
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o274 - o275
• a: 14.216 ± 0.003 Å
• b: 8.004 ± 0.002 Å
• c: 18.501 ± 0.001 Å
• α: 90°
• β: 121.19 ± 0.03°
• γ: 90°
• Cell volume: 1800.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0671
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes