Information card for entry 7112812

Structure parameters

• Formula: C23 H23 N O
• Calculated formula: C23 H23 N O
• SMILES: o1c(c2Cc3ccccc3N3C(c2c1c1ccccc1)CCCC3)C
• Title of publication: Product-selectivity control by the nature of the catalyst: Lewis acid-catalyzed selective formation of ring-fused tetrahydroquinolines and tetrahydroazepines via intramolecular redox reaction.
• Authors of publication: Zhou, Guanghua; Zhang, Junliang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6593 - 6595
• a: 11.791 ± 0.0003 Å
• b: 16.6191 ± 0.0005 Å
• c: 8.9716 ± 0.0003 Å
• α: 90°
• β: 91.617 ± 0.001°
• γ: 90°
• Cell volume: 1757.34 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No