Information card for entry 1554764

Structure parameters

• Formula: C25 H20 B F4 N O
• Calculated formula: C25 H20 B F4 N O
• SMILES: [B](F)(F)(F)[F-].C[n+]1c(c2ccccc2)c(c2ccccc2)c2c(c1C)oc1ccccc21
• Title of publication: Rhodium(III)-catalyzed vinylic C-H activation: a direct route toward pyridinium salts.
• Authors of publication: Luo, Ching-Zong; Jayakumar, Jayachandran; Gandeepan, Parthasarathy; Wu, Yun-Ching; Cheng, Chien-Hong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 924 - 927
• a: 10.72 ± 0.003 Å
• b: 18.331 ± 0.004 Å
• c: 12.174 ± 0.003 Å
• α: 90°
• β: 110.527 ± 0.006°
• γ: 90°
• Cell volume: 2240.4 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No