Information card for entry 4516659

Structure parameters

• Formula: C15 H19 F3 N4 O7
• Calculated formula: C15 H19 F3 N4 O7
• SMILES: FC(F)(F)CCCC(CC(N=N#N)C(=O)N1C(=O)OCC1)(C(=O)OC)C(=O)OC
• Title of publication: Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam
• Authors of publication: Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 2826
• a: 10.6111 ± 0.0008 Å
• b: 9.3941 ± 0.0007 Å
• c: 19.1315 ± 0.0015 Å
• α: 90°
• β: 91.384 ± 0.001°
• γ: 90°
• Cell volume: 1906.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No