Information card for entry 7106652

Structure parameters

• Formula: C17 H16 Cl N O3
• Calculated formula: C17 H16 Cl N O3
• SMILES: c1(c(cccc1)/C(=N/OC(=O)OCC)C)c1ccc(Cl)cc1
• Title of publication: UV Promoted Phenanthridine Syntheses from Oxime Carbonate Derived Iminyl Radicals
• Authors of publication: Roy T. McBurney; Alexandra M. Z. Slawin; Laura A. Smart; Yanping Yu; John C. Walton
• Journal of publication: Chem. Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7974
• a: 24.039 ± 0.014 Å
• b: 7.017 ± 0.005 Å
• c: 19.28 ± 0.012 Å
• α: 90°
• β: 95.759 ± 0.014°
• γ: 90°
• Cell volume: 3236 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1656
• Residual factor for significantly intense reflections: 0.1423
• Weighted residual factors for significantly intense reflections: 0.3619
• Weighted residual factors for all reflections included in the refinement: 0.3976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No