Information card for entry 7122083

Structure parameters

• Formula: C7 H11 Cl F5 N O3
• Calculated formula: C7 H11 Cl F5 N O3
• Title of publication: Synthesis of new fluorinated proline analogues from polyfluoroalkyl β-ketoacetals and ethyl isocyanoacetate.
• Authors of publication: Tolmachova, Nataliya A.; Kondratov, Ivan S.; Dolovanyuk, Violetta G.; Pridma, Stanislav O.; Chernykh, Anton V.; Daniliuc, Constantin G.; Haufe, Günter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 69
• Pages of publication: 9683 - 9686
• a: 11.579 ± 0.0005 Å
• b: 10.2974 ± 0.0004 Å
• c: 9.8109 ± 0.0004 Å
• α: 90°
• β: 109.426 ± 0.002°
• γ: 90°
• Cell volume: 1103.19 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No