Information card for entry 4024342

Structure parameters

• Formula: C18 H23 F4 N O4
• Calculated formula: C18 H23 F4 N O4
• SMILES: [NH2+]1[C@@](CC[C@H]1CC)(C(=O)OC)CCc1ccc(F)cc1.O=C([O-])C(F)(F)F.[NH2+]1[C@](CC[C@@H]1CC)(C(=O)OC)CCc1ccc(F)cc1.O=C([O-])C(F)(F)F
• Title of publication: A Highly Regioselective Ring-Opening Metathesis-Cross Metathesis Process Modulated by the Electronic Effects of the Cross Metathesis Partner: An Entry to Quaternary Prolines
• Authors of publication: Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1736 - 1739
• a: 15.8347 ± 0.0008 Å
• b: 10.7323 ± 0.0009 Å
• c: 11.2665 ± 0.0009 Å
• α: 90°
• β: 97.153 ± 0.004°
• γ: 90°
• Cell volume: 1899.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1055
• 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