Information card for entry 2229551

Structure parameters

• Chemical name: 10-Hydroxy-2-azapentacyclo[10.8.0.0^2,10^.0^4,9^.0^15,20^]icosa- 1(12),4(9),5,7,13,15(20),16,18-octaene-3,11-dione
• Formula: C19 H11 N O3
• Calculated formula: C19 H11 N O3
• SMILES: C1(=O)c2ccccc2C2(C(=O)c3ccc4ccccc4c3N12)O
• Title of publication: 10-Hydroxy-2-azapentacyclo[10.8.0.0^2,10^.0^4,9^.0^15,20^]icosa-1(12),4(9),5,7,13,15(20),16,18-octaene-3,11-dione
• Authors of publication: Hashemian, Saeedeh; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o680
• a: 7.325 ± 0.0011 Å
• b: 9.7916 ± 0.0016 Å
• c: 10.4532 ± 0.0017 Å
• α: 70.401 ± 0.013°
• β: 82.503 ± 0.013°
• γ: 75.862 ± 0.012°
• Cell volume: 683.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes