Information card for entry 7213417

Structure parameters

• Formula: C18 H24 Br N O3 Si
• Calculated formula: C18 H24 Br N O3 Si
• 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: 7.091 ± 0.009 Å
• b: 25.43 ± 0.03 Å
• c: 11.529 ± 0.014 Å
• α: 90°
• β: 96.49 ± 0.01°
• γ: 90°
• Cell volume: 2066 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.2598
• Residual factor for significantly intense reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.3276
• Weighted residual factors for all reflections included in the refinement: 0.3912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No