Information card for entry 7103339

Structure parameters

• Formula: C14 H17 F2 N O4
• Calculated formula: C14 H17 F2 N O4
• SMILES: O=C1O[C@H]2N(C=C[C@@H](C31CCCCC3)C2(F)F)C(=O)OC.O=C1O[C@@H]2N(C=C[C@H](C31CCCCC3)C2(F)F)C(=O)OC
• Title of publication: Lactonizations of carboxylic acid-substituted 3-fluorodihydropyridines with electrophiles: peculiar behaviour of F(+).
• Authors of publication: Rudler, Henri; Parlier, Andrée; Hamon, Louis; Herson, Patrick; Daran, Jean-Claude
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4150 - 4152
• a: 13.566 ± 0.003 Å
• b: 10.62 ± 0.002 Å
• c: 18.434 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2655.9 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1648
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No