Information card for entry 7119002

Structure parameters

• Common name: kim5
• Chemical name: (Z)-1-(5-ethoxy-2-(4-nitrophenyl)oxazol-4-yl)ethan-1-one O-methyl oxime
• Formula: C14 H15 N3 O5
• Calculated formula: C14 H15 N3 O5
• Title of publication: The synthesis of pyrroles and oxazoles based on gold alpha-imino carbene complexes
• Authors of publication: Nicole S. Y. Loy; Subin Choi; Sunggak Kim; Cheol-Min Park
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7336
• a: 30.509 ± 0.006 Å
• b: 14.5498 ± 0.0018 Å
• c: 33.049 ± 0.004 Å
• α: 90°
• β: 91.858 ± 0.003°
• γ: 90°
• Cell volume: 14663 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No