Information card for entry 7159613

Structure parameters

• Formula: C11 H8 F N O2
• Calculated formula: C11 H8 F N O2
• Title of publication: AITF (4-acetamidophenyl triflimide) mediated synthesis of amides, peptides and esters.
• Authors of publication: Chetankumar, Eti; Bharamawadeyar, Swetha; Srinivasulu, Chinthaginjala; Sureshbabu, Vommina V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 44
• Pages of publication: 8875 - 8882
• a: 11.206 ± 0.003 Å
• b: 9.424 ± 0.003 Å
• c: 18.834 ± 0.006 Å
• α: 90°
• β: 106.89 ± 0.009°
• γ: 90°
• Cell volume: 1903.2 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No