Information card for entry 7132206

Structure parameters

• Formula: C18 N O4
• Calculated formula: C18 N O4
• SMILES: c1ccccc1C(=O)[C@@H]1[C@H]2CCC[C@H]2N(C(=O)OC(C)(C)C)O1.c1ccccc1C(=O)[C@H]1[C@@H]2CCC[C@@H]2N(C(=O)OC(C)(C)C)O1
• Title of publication: Brønsted acid-catalyzed annulation reaction of hydroxamic acids: synthesis of cyclopentane-fused isoxazolidines and their benzilic amide rearrangement
• Authors of publication: Mondal, Swati Lekha; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 12.2934 ± 0.0005 Å
• b: 14.3475 ± 0.0005 Å
• c: 9.7444 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.71 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6691
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No