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Information card for entry 1543064
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| Coordinates | 1543064.cif |
|---|---|
| Structure factors | 1543064.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol |
|---|---|
| Formula | C26 H16 N2 O |
| Calculated formula | C26 H16 N2 O |
| SMILES | Oc1cccc2ccc(nc12)/C=N/c1ccc2ccc3cccc4ccc1c2c34 |
| Title of publication | (<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol |
| Authors of publication | Mukherjee, Soma; Talukder, Shrabani; Stoeckli-Evans, Helen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160543 |
| a | 15.984 ± 0.0019 Å |
| b | 4.8453 ± 0.0003 Å |
| c | 23.071 ± 0.003 Å |
| α | 90° |
| β | 93.835 ± 0.009° |
| γ | 90° |
| Cell volume | 1782.8 ± 0.3 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 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 | 0.0842 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181999 (current) | 2016-04-09 | cif/ hkl/ Adding structures of 1543064 via cif-deposit CGI script. |
1543064.cif 1543064.hkl |
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Users of the data should acknowledge the original authors of the
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