Information card for entry 7106651

Structure parameters

• Formula: C21 H17 N O4
• Calculated formula: C21 H17 N O4
• SMILES: c1(c(cccc1)C=NOC(=O)Oc1ccccc1)c1ccc(OC)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: 8.5885 ± 0.0019 Å
• b: 13.388 ± 0.003 Å
• c: 15.162 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1743.4 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No