Information card for entry 1506565

Structure parameters

• Formula: C12 H18 N2 O2
• Calculated formula: C12 H18 N2 O2
• SMILES: O=C1NC=CCCCC(=O)NC=CCCC1
• 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: 7.6969 ± 0.0012 Å
• b: 9.6905 ± 0.0014 Å
• c: 16.428 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1225.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No