Information card for entry 7238987

Structure parameters

• Chemical name: N-(4-methoxyphenyl)isoquinolin-1-amine
• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• Title of publication: Base and ligand free copper-catalyzed N-arylation of 2-amino-N-heterocycles with boronic acids in air
• Authors of publication: Rao, D. Nageswar; Rasheed, Sk.; Aravinda, S.; Vishwakarma, Ram A.; Das, Parthasarathi
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 29
• Pages of publication: 11472
• a: 13.427 ± 0.0013 Å
• b: 5.6126 ± 0.0005 Å
• c: 16.7627 ± 0.0019 Å
• α: 90°
• β: 91.685 ± 0.01°
• γ: 90°
• Cell volume: 1262.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2057
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No