Information card for entry 1512203

Structure parameters

• Chemical name: Methyl-1-ethyl-7-fluoro-8-iodo-4-oxa-1,4-dihydroquinoline-3-carboxylate
• Formula: C13 H11 F I N O3
• Calculated formula: C13 H11 F I N O3
• SMILES: Ic1c(ccc2c(=O)c(cn(c12)CC)C(=O)OC)F
• Title of publication: A Fluorine 1,2-Migration via Aryl Cation/Radical/Radical Anion/Radical Sequence.
• Authors of publication: Pretali, Luca; Dondi, Daniele; D'Angelantonio, Mila; Manet, Ilse; Fasani, Elisa; Monti, Sandra; Bovio, Bruna; Albini, Angelo
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 3926 - 3929
• a: 12.798 ± 0.003 Å
• b: 14.387 ± 0.003 Å
• c: 7.154 ± 0.007 Å
• α: 90°
• β: 98.78 ± 0.05°
• γ: 90°
• Cell volume: 1301.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.710738 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No