Information card for entry 7213416

Structure parameters

• Formula: C14 H25 N O3 Si
• Calculated formula: C14 H25 N O3 Si
• SMILES: [Si](O[C@H]1CC(=O)[C@@H]2C(=NO[C@H]12)CC)(C(C)(C)C)(C)C
• Title of publication: A novel approach to bis-isoxazolines using a latent form of cyclopentadienone
• Authors of publication: Basra, Sanjivanjit K.; Drew, Michael G. B.; Mann, John; Kane, Peter D.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3592
• a: 7.15 ± 0.009 Å
• b: 9.834 ± 0.011 Å
• c: 12.116 ± 0.013 Å
• α: 90°
• β: 94.66 ± 0.01°
• γ: 90°
• Cell volume: 849.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No