Information card for entry 7153335

Structure parameters

• Chemical name: 1-(4-Fluorobenzoyl)pyrrolo[1,2-a]quinoline
• Formula: C19 H12 F N O
• Calculated formula: C19 H12 F N O
• SMILES: Fc1ccc(C(=O)c2n3c4c(cccc4)ccc3cc2)cc1
• Title of publication: Regioselective synthesis of 3-acylindolizines and benzo- analogues via 1,3-dipolar cycloadditions of N-ylides with maleic anhydride.
• Authors of publication: Liu, Yun; Zhang, Yan; Shen, Yong-Miao; Hu, Hong-Wen; Xu, Jian-Hua
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 2449 - 2456
• a: 7.888 ± 0.0016 Å
• b: 13.53 ± 0.003 Å
• c: 14.876 ± 0.003 Å
• α: 103.97 ± 0.03°
• β: 105.05 ± 0.03°
• γ: 102.57 ± 0.03°
• Cell volume: 1419.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No