Information card for entry 1518141

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-4-methyl-4-phenyl-4,5-dihydrooxazole
• Formula: C13 H14 N2 O2
• Calculated formula: C13 H14 N2 O2
• Title of publication: Visible light C‒H amidation of heteroarenes with benzoyl azides
• Authors of publication: Brachet, E.; Ghosh, T.; Ghosh, I.; König, B.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 987
• a: 11.6434 ± 0.0003 Å
• b: 10.03245 ± 0.00018 Å
• c: 20.857 ± 0.0004 Å
• α: 90°
• β: 103.161 ± 0.002°
• γ: 90°
• Cell volume: 2372.35 ± 0.09 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No