Information card for entry 4023025

Structure parameters

• Formula: C17 H19 F2 N O4
• Calculated formula: C17 H19 F2 N O4
• SMILES: FC1(F)CC=CCCC(=O)OC[C@H]1NC(=O)OCc1ccccc1
• Title of publication: Asymmetric Synthesis of Fluorinated Amino Macrolactones through Ring-Closing Metathesis
• Authors of publication: Santos Fustero; Begoña Fernández; Juan F. Sanz-Cervera; Natalia Mateu; Silvia Mosulén; Rodrigo J. Carbajo; Antonio Pineda-Lucena; Carmen Ramírez de Arellano
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8716 - 8723
• a: 5.1217 ± 0.001 Å
• b: 13.763 ± 0.003 Å
• c: 22.709 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No