Information card for entry 7155820

Structure parameters

• Formula: C13 H21 N O3
• Calculated formula: C13 H21 N O3
• SMILES: O=C1C(=C(O)CC(C1)(C)C)C(=O)NC(C)(C)C
• Title of publication: Direct Carboxamidation of Cyclic 2-Diazo-1,3-diketones by Rh2(OAc)4-catalyzed Isocyanide Insertion-Hydrolysis
• Authors of publication: He, Xinwei; Yu, Zhiyu; Zuo, Youpeng; Yang, Cheng; Shang, Yongjia
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 11.0499 ± 0.0014 Å
• b: 11.3287 ± 0.0014 Å
• c: 11.7946 ± 0.0014 Å
• α: 90°
• β: 113.702 ± 0.001°
• γ: 90°
• Cell volume: 1351.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No