Information card for entry 4134412

Structure parameters

• Formula: C24 H15 F6 N O4
• Calculated formula: C24 H15 F6 N O4
• SMILES: c12ccccc1c1ccccc1C2COC(=O)NOC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp³)-H Amidation.
• Authors of publication: Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 12
• Pages of publication: 5811 - 5818
• a: 60.281 ± 0.012 Å
• b: 4.917 ± 0.001 Å
• c: 14.155 ± 0.003 Å
• α: 90°
• β: 93.84 ± 0.03°
• γ: 90°
• Cell volume: 4186.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No