Information card for entry 4304166

Structure parameters

• Formula: C17 H15 N O3
• Calculated formula: C17 H15 N O3
• SMILES: c12n(=O)cccc1cccc2.OC(=O)c1ccc(cc1)C
• Title of publication: N-Oxides in Metal-Containing Multicomponent Molecular Complexes
• Authors of publication: Rupam Sarma; Anirban Karmakar; Jubaraj B. Baruah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 763 - 765
• a: 7.7728 ± 0.0014 Å
• b: 8.3094 ± 0.0017 Å
• c: 12.991 ± 0.003 Å
• α: 106.374 ± 0.013°
• β: 91.195 ± 0.013°
• γ: 115.567 ± 0.012°
• Cell volume: 716.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1448
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.2623
• Weighted residual factors for all reflections included in the refinement: 0.3423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No