Information card for entry 4021869

Structure parameters

• Formula: C12 H13 N O2
• Calculated formula: C12 H13 N O2
• Title of publication: A General Synthesis of N-Vinyl Nitrones
• Authors of publication: Scott E. Denmark; Justin I. Montgomery
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6211 - 6220
• a: 8.634 ± 0.006 Å
• b: 10.072 ± 0.007 Å
• c: 23.622 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2054 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No