Information card for entry 4037049

Structure parameters

• Formula: C17 H21 F N2 O4 S2
• Calculated formula: C17 H21 F N2 O4 S2
• Title of publication: Access to Fluoropyrrolidines by Intramolecular Aza-Michael Addition Reaction.
• Authors of publication: Le Guen, Clothilde; Tran Do, Minh-Loan; Chardon, Aurélien; Lebargy, Cyril; Lohier, Jean-François; Pfund, Emmanuel; Lequeux, Thierry
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 15
• Pages of publication: 6714 - 6720
• a: 8.7702 ± 0.0005 Å
• b: 11.1933 ± 0.0007 Å
• c: 18.6003 ± 0.001 Å
• α: 87.138 ± 0.003°
• β: 89.981 ± 0.003°
• γ: 89.511 ± 0.003°
• Cell volume: 1823.6 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No