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Information card for entry 7228158
Preview
| Coordinates | 7228158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 N2 |
|---|---|
| Calculated formula | C16 H14 N2 |
| SMILES | n1cccc2cc(ccc12)Cc1ccc(cc1)N |
| Title of publication | Continuous niobium phosphate catalysed Skraup reaction for quinoline synthesis from solketal |
| Authors of publication | Jin, Jing; Guidi, Sandro; Abada, Zahra; Amara, Zacharias; Selva, Maurizio; George, Michael W.; Poliakoff, Martyn |
| Journal of publication | Green Chem. |
| Year of publication | 2017 |
| a | 10.0024 ± 0.0009 Å |
| b | 6.9487 ± 0.0007 Å |
| c | 17.5896 ± 0.0015 Å |
| α | 90° |
| β | 98.794 ± 0.009° |
| γ | 90° |
| Cell volume | 1208.2 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195863 (current) | 2017-04-29 | cif/ Adding structures of 7228158 via cif-deposit CGI script. |
7228158.cif |
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