Information card for entry 7159081

Structure parameters

• Formula: C12 H12 N2 O
• Calculated formula: C12 H12 N2 O
• Title of publication: Synthesis of cyano-substituted γ-lactams through a copper-catalyzed cascade cyclization/cyanation reaction.
• Authors of publication: Liu, Wen; Wang, Liang; Mu, Haiping; Zhang, Qian; Fang, Zeguo; Li, Dong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• a: 6.03944 ± 0.00015 Å
• b: 12.8249 ± 0.0003 Å
• c: 27.8674 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2158.48 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No