Information card for entry 1542699

Structure parameters

• Formula: C17 H16 F N O
• Calculated formula: C17 H16 F N O
• SMILES: c1ccccc1CC1=NC(CF)(c2ccccc2)OC1
• Title of publication: Linking of Alcohols with Vinyl Azides.
• Authors of publication: Wang, Yi-Feng; Hu, Ming; Hayashi, Hirohito; Xing, Bengang; Chiba, Shunsuke
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 992
• a: 5.5492 ± 0.0005 Å
• b: 10.9097 ± 0.0011 Å
• c: 11.6094 ± 0.0012 Å
• α: 102.644 ± 0.003°
• β: 93.799 ± 0.003°
• γ: 96.078 ± 0.003°
• Cell volume: 679.03 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0756
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No