Information card for entry 7225660

Structure parameters

• Formula: C48 H36 B2 F8 N2
• Calculated formula: C48 H36 B2 F8 N2
• SMILES: [B](F)(F)(F)[F-].C1[n+]2ccc(c3cc(cc(c23)[C@H](C1)c1ccccc1)c1cc2[C@@H](CC[n+]3ccc(c(c1)c23)c1ccccc1)c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: A Concise Synthesis of Quinolinium, and Biquinolinium Salts and Biquinolines from Benzylic Azides and Alkenes Promoted by Copper(II) Species
• Authors of publication: Chen, Wei-Chen; Parthasarathy, Gandeepan; Tsai, Chia-Hung; Luo, Ching-Zong; Rajamalli, Pachaiyappan; Cheng, Chien Hong
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.2275 ± 0.0013 Å
• b: 12.9049 ± 0.0011 Å
• c: 12.2015 ± 0.0011 Å
• α: 90°
• β: 110.482 ± 0.006°
• γ: 90°
• Cell volume: 1951.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2009
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No