Information card for entry 7243613

Structure parameters

• Formula: C19 H17 F8 N5 O3
• Calculated formula: C19 H17 F8 N5 O3
• Title of publication: Defluorinative [4 + 1] annulation of perfluoroalkyl N-mesylhydrazones with primary amines provides 5-fluoroalkyl 1,2,3-triazoles
• Authors of publication: Ning, Yongquan; Wang, Hongwei; Sivaguru, Paramasivam; Li, Shuang; Zanoni, Giuseppe; Nolan, Steven P.; Bi, Xihe
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 7976 - 7981
• a: 11.1446 ± 0.0013 Å
• b: 6.5924 ± 0.0009 Å
• c: 29.135 ± 0.004 Å
• α: 90°
• β: 93.968 ± 0.01°
• γ: 90°
• Cell volume: 2135.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No