Information card for entry 1508875

Structure parameters

• Formula: C25 H20 N2
• Calculated formula: C25 H20 N2
• SMILES: c1(ccccc1)N(C#N)CC(c1ccccc1)c1cccc2ccccc12
• Title of publication: Copper-catalyzed aliphatic C-h amination with an amidine moiety.
• Authors of publication: Chen, Hui; Sanjaya, Stephen; Wang, Yi-Feng; Chiba, Shunsuke
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 212 - 215
• a: 12.2998 ± 0.001 Å
• b: 8.3428 ± 0.0007 Å
• c: 18.0813 ± 0.0014 Å
• α: 90°
• β: 95.545 ± 0.003°
• γ: 90°
• Cell volume: 1846.7 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No