Information card for entry 4035461

Structure parameters

• Formula: C25 H24 N2
• Calculated formula: C25 H24 N2
• SMILES: N12C(=C[C@H](c3ccccc3)C[C@@]2(NCC1)c1ccccc1)c1ccccc1.N12C(=C[C@@H](c3ccccc3)C[C@]2(NCC1)c1ccccc1)c1ccccc1
• Title of publication: Heteropolyacid-Containing Ionic Liquid-Catalyzed Multicomponent Synthesis of Bridgehead Nitrogen Heterocycles: Mechanisms and Mitochondrial Staining.
• Authors of publication: Alvim, Haline G. O.; Correa, Jose R.; Assumpção, José A F; da Silva, Wender A.; Rodrigues, Marcelo O.; de Macedo, Julio L.; Fioramonte, Mariana; Gozzo, Fabio C.; Gatto, Claudia C.; Neto, Brenno A. D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 7
• Pages of publication: 4044 - 4053
• a: 9.985 ± 0.006 Å
• b: 19.848 ± 0.009 Å
• c: 10.7 ± 0.006 Å
• α: 90°
• β: 110.13 ± 0.03°
• γ: 90°
• Cell volume: 1991 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.3585
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No