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Information card for entry 1544255
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| Coordinates | 1544255.cif |
|---|---|
| Structure factors | 1544255.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187213 (current) | 2016-10-08 | cif/ hkl/ Adding structures of 1544255 via cif-deposit CGI script. |
1544255.cif 1544255.hkl |
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Users of the data should acknowledge the original authors of the
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