Information card for entry 7106654

Structure parameters

• Formula: C21 H15 N O5
• Calculated formula: C21 H15 N O5
• SMILES: c1(c(cc2OCOc2c1)C=NOC(=O)Oc1ccccc1)c1ccccc1
• 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: 9.119 ± 0.008 Å
• b: 9.581 ± 0.007 Å
• c: 10.232 ± 0.008 Å
• α: 97.856 ± 0.018°
• β: 96.761 ± 0.013°
• γ: 104.7 ± 0.02°
• Cell volume: 845.7 ± 1.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No