Information card for entry 4518173

Structure parameters

• Common name: Charles56b (Nansi)
• Formula: C24 H16 Br2 F6 N P
• Calculated formula: C24 H16 Br2 F6 N P
• SMILES: Brc1ccc([N+]2(c3ccccc3c3ccccc23)c2ccc(Br)cc2)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects.
• Authors of publication: Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 8.9254 ± 0.0014 Å
• b: 17.366 ± 0.003 Å
• c: 15.62 ± 0.002 Å
• α: 90°
• β: 103.842 ± 0.004°
• γ: 90°
• Cell volume: 2350.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1136
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No