Information card for entry 7204971

Structure parameters

• Formula: C22 H16 F N O3
• Calculated formula: C22 H16 F N O3
• SMILES: c1(c(c(n2ccc3ccccc3c12)c1ccccc1)C(=O)F)C(=O)OCC
• Title of publication: Reactions of N-benzyl-pyridinium or -isoquinolinium ylides with ethyl 3-fluoro-3-(fluoroalkyl)acrylates to give fluoroalkyl-substituted indolizine and pyrrolo[2,1-a]isoquinoline derivatives
• Authors of publication: Peng, Weimin; Zhu, Shizheng
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3204
• a: 20.375 ± 0.004 Å
• b: 11.151 ± 0.002 Å
• c: 16.522 ± 0.004 Å
• α: 90°
• β: 103.55 ± 0.01°
• γ: 90°
• Cell volume: 3649.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2076
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No