Information card for entry 7122082

Structure parameters

• Formula: C63 H79 N3 O3 Y
• Calculated formula: C63 H79 N3 O3 Y
• 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: 10.266 ± 0.002 Å
• b: 12.111 ± 0.002 Å
• c: 23.973 ± 0.005 Å
• α: 87.84 ± 0.03°
• β: 77.96 ± 0.03°
• γ: 76.14 ± 0.03°
• Cell volume: 2829.9 ± 1.1 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections: 0.1539
• Weighted residual factors for significantly intense reflections: 0.1415
• Goodness-of-fit parameter for all reflections: 0.975
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No