Information card for entry 1544255

Structure parameters

• Chemical name: Methyl 2-phenylquinoline-4-carboxylate
• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• SMILES: O=C(OC)c1c2c(nc(c1)c1ccccc1)cccc2
• Title of publication: Methyl 2-phenylquinoline-4-carboxylate
• Authors of publication: Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Al-badrany, Khalid A.; Ahmed, Ehab A.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161500
• a: 11.5383 ± 0.0007 Å
• b: 7.9873 ± 0.0005 Å
• c: 28.3149 ± 0.0019 Å
• α: 90°
• β: 90.525 ± 0.003°
• γ: 90°
• Cell volume: 2609.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes