Information card for entry 7063080

Structure parameters

• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: c1cccc2cc(cnc12)C(=O)c1c(cc(cc1C)C)C
• Title of publication: Lewis acid-mediated modular route to the synthesis of 3-substituted quinolines from 2-aminobenzyl alcohols and enamine(one)s
• Authors of publication: Ghosh, Aritra; Upadhyay, Samridhi; Dahatonde, Dipak J.; Kant, Ruchir; Batra, Sanjay
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 6902 - 6910
• a: 11.363 ± 0.002 Å
• b: 10.957 ± 0.002 Å
• c: 12.286 ± 0.003 Å
• α: 90°
• β: 95.46 ± 0.008°
• γ: 90°
• Cell volume: 1522.7 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No