Information card for entry 7058767

Structure parameters

• Formula: C26 H24 F I N4 O2 S
• Calculated formula: C26 H24 F I N4 O2 S
• Title of publication: Highly N2-selective allylation of NH-1,2,3-triazoles with allenamides mediated by N-iodosuccinimide
• Authors of publication: Re He Man, Xi Jia Ai Ti; Liu, Yong Chun; Li, Xiao Xiao; Zhao, Zhi Gang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 14739
• a: 16.6016 ± 0.0004 Å
• b: 24.2609 ± 0.0006 Å
• c: 6.07906 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2448.46 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No