Information card for entry 4023024

Structure parameters

• Formula: C17 H17 F4 N O4
• Calculated formula: C17 H17 F4 N O4
• SMILES: FC1(F)[C@@H](NC(=O)OCc2ccccc2)COC(=O)C(F)(F)CC=CC1
• 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: 5.2691 ± 0.0011 Å
• b: 14.262 ± 0.003 Å
• c: 21.962 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1650.3 ± 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: 0.2087
• Residual factor for significantly intense reflections: 0.1818
• Weighted residual factors for significantly intense reflections: 0.4354
• Weighted residual factors for all reflections included in the refinement: 0.4479
• Goodness-of-fit parameter for all reflections included in the refinement: 2.495
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No