Information card for entry 7239175

Structure parameters

• Formula: C20 H13 N O3
• Calculated formula: C20 H13 N O3
• Title of publication: Ag2O mediated N-demethylation and oxidative opening of indenopyrido[2,1-a]isoindolones. Efficient access to polysubstituted 1-azafluorenones
• Authors of publication: Mamane, Victor; Chamas, Zein; Aubert, Emmanuel; Fort, Yves
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 41
• Pages of publication: 19110
• a: 23.2721 ± 0.0005 Å
• b: 3.8985 ± 0.0001 Å
• c: 16.3943 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1487.39 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 109.8 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No