Information card for entry 4027877

Structure parameters

• Chemical name: N-Anthryl-3,3-dimethyl-5-hydroxyl-isoxazolidin acetate
• Formula: C22 H21 N O4
• Calculated formula: C22 H21 N O4
• SMILES: O1N(C(CC1OC(=O)C)(C)C)C(=O)c1c2ccccc2cc2ccccc12
• Title of publication: N,O-Nucleosides from Ene Reactions of Nitrosocarbonyl Intermediates with the 3-Methyl-2-buten-1-ol
• Authors of publication: Paolo Quadrelli; Mariella Mella; Serena Carosso; Bruna Bovio
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 516 - 526
• a: 9.634 ± 0.0009 Å
• b: 20.589 ± 0.001 Å
• c: 9.671 ± 0.001 Å
• α: 90°
• β: 102.47 ± 0.01°
• γ: 90°
• Cell volume: 1873 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.710738 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No