Information card for entry 7156657

Structure parameters

• Formula: C28 H19 B F4 N2
• Calculated formula: C28 H19 B F4 N2
• Title of publication: Rh-Catalyzed tandem C-C/C-N bond formation of quinoxalines with alkynes leading to heterocyclic ammonium salts.
• Authors of publication: Talukdar, Kangkan; Roy, Subhasish; Bag, Raghunath; Punniyamurthy, Tharmalingam
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 2148 - 2152
• a: 31.9 ± 0.004 Å
• b: 9.7621 ± 0.001 Å
• c: 15.5417 ± 0.0016 Å
• α: 90°
• β: 107.394 ± 0.014°
• γ: 90°
• Cell volume: 4618.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2352
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.2628
• Weighted residual factors for all reflections included in the refinement: 0.3187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No