Information card for entry 2210554

Structure parameters

• Chemical name: 8-Quinolyl benzoate
• Formula: C16 H11 N O2
• Calculated formula: C16 H11 N O2
• SMILES: O(c1cccc2cccnc12)C(=O)c1ccccc1
• Title of publication: 8-Quinolyl benzoate
• Authors of publication: Gang Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4666 - o4667
• a: 6.6322 ± 0.0003 Å
• b: 8.5401 ± 0.0004 Å
• c: 21.5578 ± 0.001 Å
• α: 90°
• β: 92.798 ± 0.001°
• γ: 90°
• Cell volume: 1219.57 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes