Information card for entry 7158581

Structure parameters

• Formula: C12 H20 Cl N O
• Calculated formula: C12 H20 Cl N O
• Title of publication: Photoredox catalysis in the synthesis of γ- and δ-lactams from N-alkenyl trichloro- and dichloroacetamides
• Authors of publication: Trenchs, Gisela; Diaba, Faïza
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 8.4389 ± 0.0015 Å
• b: 16.182 ± 0.003 Å
• c: 8.8628 ± 0.0017 Å
• α: 90°
• β: 91.763 ± 0.007°
• γ: 90°
• Cell volume: 1209.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No