Information card for entry 4027562

Structure parameters

• Formula: C27 H19 N O2
• Calculated formula: C27 H19 N O2
• SMILES: C(=O)c1cc2ccccc2n2c(c3ccccc3)cc(c12)C(=O)c1ccc(cc1)C
• Title of publication: Site-Selective Electrophilic Cyclization and Subsequent Ring-Opening: A Synthetic Route to Pyrrolo[1,2-a]quinolines and Indolizines
• Authors of publication: Trapti Aggarwal; Sonu Kumar; Devendra K. Dhaked; Rakesh K. Tiwari; Prasad V. Bharatam; Akhilesh K. Verma
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8562 - 8573
• a: 11.789 ± 0.001 Å
• b: 5.3518 ± 0.0005 Å
• c: 30.328 ± 0.003 Å
• α: 90°
• β: 95.048 ± 0.008°
• γ: 90°
• Cell volume: 1906 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No