Information card for entry 2223113

Structure parameters

• Chemical name: 8-(4-Nitrobenzyloxy)quinoline
• Formula: C16 H12 N2 O3
• Calculated formula: C16 H12 N2 O3
• SMILES: O(c1cccc2cccnc12)Cc1ccc(N(=O)=O)cc1
• Title of publication: 8-(4-Nitrobenzyloxy)quinoline
• Authors of publication: Zhang, Yuan; Li, Yong Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2270
• a: 4.176 ± 0.003 Å
• b: 7.395 ± 0.003 Å
• c: 21.513 ± 0.018 Å
• α: 90°
• β: 94.08 ± 0.03°
• γ: 90°
• Cell volume: 662.7 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes