Information card for entry 2222861

Structure parameters

• Chemical name: 6-(4-Nitrobenzyloxy)quinoline
• Formula: C16 H12 N2 O3
• Calculated formula: C16 H12 N2 O3
• SMILES: c1ccc2cc(ccc2n1)OCc1ccc(cc1)N(=O)=O
• Title of publication: 6-(4-Nitrobenzyloxy)quinoline
• Authors of publication: Zhao, Min Min; Li, Yong Hua; Zhang, Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1795
• a: 12.296 ± 0.003 Å
• b: 8.9146 ± 0.0018 Å
• c: 13.559 ± 0.003 Å
• α: 90°
• β: 115.25 ± 0.03°
• γ: 90°
• Cell volume: 1344.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1441
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes