Information card for entry 1508874

Structure parameters

• Formula: C27 H22 N2
• Calculated formula: C27 H22 N2
• SMILES: c1ccccc1C1=N[C@H]([C@H](c2ccccc2)N1c1ccccc1)c1ccccc1.c1ccccc1C1=N[C@@H]([C@@H](c2ccccc2)N1c1ccccc1)c1ccccc1
• 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: 8.3493 ± 0.0005 Å
• b: 10.2504 ± 0.0006 Å
• c: 13.0418 ± 0.0007 Å
• α: 91.274 ± 0.004°
• β: 104.819 ± 0.003°
• γ: 112.131 ± 0.003°
• Cell volume: 990.74 ± 0.1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No