Information card for entry 1506564

Structure parameters

• Formula: C6 H9 N O2
• Calculated formula: C6 H9 N O2
• Title of publication: Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides.
• Authors of publication: Hu, Tianshun; Li, Chaozhong
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2035 - 2038
• a: 8.6325 ± 0.0011 Å
• b: 8.2795 ± 0.001 Å
• c: 9.4032 ± 0.0012 Å
• α: 90°
• β: 108.713 ± 0.002°
• γ: 90°
• Cell volume: 636.55 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No