Information card for entry 7108615

Structure parameters

• Formula: C12 H12 Cl N O4
• Calculated formula: C12 H12 Cl N O4
• SMILES: Clc1ccc(cc1)C=NOC(=O)CCC(=O)OC
• Title of publication: Efficient synthesis of oxazoles by dirhodium(II)-catalyzed reactions of styryl diazoacetate with oximes
• Authors of publication: Xinfang Xu; Peter Y. Zavalij; Wenhao Hu; Michael P. Doyle
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11522
• a: 16.029 ± 0.005 Å
• b: 5.2953 ± 0.0017 Å
• c: 29.392 ± 0.01 Å
• α: 90°
• β: 92.478 ± 0.004°
• γ: 90°
• Cell volume: 2492.4 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0924
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No