Information card for entry 7113315

Structure parameters

• Formula: C23 H19 N
• Calculated formula: C23 H19 N
• SMILES: n1c2ccccc2c(c(c1c1ccccc1)c1ccccc1)CC
• Title of publication: Palladium-catalyzed synthesis of polysubstituted quinolines from 2-amino aromatic ketones and alkynes
• Authors of publication: Zhou, Wang; Lei, Jianhua
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 42
• Pages of publication: 5583 - 5585
• a: 13.6312 ± 0.0015 Å
• b: 9.0492 ± 0.001 Å
• c: 27.107 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3343.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No