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Information card for entry 7118021
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| Coordinates | 7118021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N-(benzo[h]quinolin-10-yl)benzamide |
|---|---|
| Formula | C20 H14 N2 O |
| Calculated formula | C20 H14 N2 O |
| SMILES | O=C(Nc1cccc2ccc3cccnc3c12)c1ccccc1 |
| Title of publication | A new class of N-H proton transfer molecules: wide tautomer emission tuning from 590 nm to 770 nm via a facile, single site amino derivatization in 10-aminobenzo[h]quinoline |
| Authors of publication | Huan-Wei Tseng; Ta-Chun Lin; Chi-Lin Chen; Tzu-Chieh Lin; Yi-An Chen; Jun-Qi Liu; Cheng-Hsien Hung; Chi-Min Chao; Kuan-Miao Liu; Pi-Tai Chou |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 16099 |
| a | 10.9292 ± 0.0008 Å |
| b | 16.0839 ± 0.0011 Å |
| c | 8.704 ± 0.0008 Å |
| α | 90° |
| β | 103.591 ± 0.008° |
| γ | 90° |
| Cell volume | 1487.2 ± 0.2 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.1655 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118021.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7118021.cif |
| 169893 | 2015-10-30 | cif/ Adding structures of 7118021 via cif-deposit CGI script. |
7118021.cif |
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Users of the data should acknowledge the original authors of the
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