Information card for entry 4024687

Structure parameters

• Formula: C18 H25 N O3 Si
• Calculated formula: C18 H25 N O3 Si
• Title of publication: Metal-Catalyzed Cycloisomerization Reactions of cis-4-Hydroxy-5-alkynylpyrrolidinones and cis-5-Hydroxy-6-alkynylpiperidinones: Synthesis of Furo[3,2-b]pyrroles and Furo[3,2-b]pyridines
• Authors of publication: Jasmine C. Jury; Nalivela Kumara Swamy; Arife Yazici; Anthony C. Willis; Stephen G. Pyne
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5523 - 5527
• a: 13.0847 ± 0.0002 Å
• b: 8.9796 ± 0.0001 Å
• c: 15.6906 ± 0.0003 Å
• α: 90°
• β: 92.3403 ± 0.0009°
• γ: 90°
• Cell volume: 1842.04 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No