Information card for entry 7159612

Structure parameters

• Formula: C10 H8 F6 N2 O5 S2
• Calculated formula: C10 H8 F6 N2 O5 S2
• 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: 5.5295 ± 0.0013 Å
• b: 21.27 ± 0.005 Å
• c: 12.923 ± 0.003 Å
• α: 90°
• β: 98.235 ± 0.008°
• γ: 90°
• Cell volume: 1504.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No