Information card for entry 4032178

Structure parameters

• Formula: C23 H19 N3 O
• Calculated formula: C23 H19 N3 O
• SMILES: c1ccn(c2ccccc2N(c2ccccc2)C(=O)c2ccc(cc2)C)n1
• Title of publication: Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.
• Authors of publication: Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 5
• Pages of publication: 2764 - 2771
• a: 9.3524 ± 0.0003 Å
• b: 9.4185 ± 0.0003 Å
• c: 12.0991 ± 0.0004 Å
• α: 109.872 ± 0.0017°
• β: 106.528 ± 0.0017°
• γ: 92.9933 ± 0.0016°
• Cell volume: 947.68 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No