Information card for entry 1503746

Structure parameters

• Formula: C26 H25 N O4
• Calculated formula: C26 H25 N O4
• SMILES: N1(C(C(Cc2ccccc12)(C(=O)OC)C(=O)OC)c1ccccc1)Cc1ccccc1
• Title of publication: Lewis acid catalyzed formation of tetrahydroquinolines via an intramolecular redox process.
• Authors of publication: Murarka, Sandip; Zhang, Chen; Konieczynska, Marlena D.; Seidel, Daniel
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 129 - 132
• a: 9.4102 ± 0.0007 Å
• b: 10.0875 ± 0.0008 Å
• c: 11.9042 ± 0.0009 Å
• α: 92.665 ± 0.002°
• β: 100.089 ± 0.002°
• γ: 106.574 ± 0.001°
• Cell volume: 1060.73 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No