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Information card for entry 1555216
Preview
| Coordinates | 1555216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 N3 |
|---|---|
| Calculated formula | C14 H11 N3 |
| SMILES | c12ccccc1nc(c1ccccc1)nc2N |
| Title of publication | Expeditious Synthesis of 2-Phenylquinazolin-4-amines via a Fe/Cu Relay-Catalyzed Domino Strategy. |
| Authors of publication | Jia, Feng-Cheng; Zhou, Zhi-Wen; Xu, Cheng; Cai, Qun; Li, Deng-Kui; Wu, An-Xin |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 17 |
| Pages of publication | 4236 - 4239 |
| a | 14.857 ± 0.004 Å |
| b | 12.127 ± 0.003 Å |
| c | 13.289 ± 0.004 Å |
| α | 90° |
| β | 106.898 ± 0.003° |
| γ | 90° |
| Cell volume | 2290.9 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238396 (current) | 2019-11-24 | cif/ Adding structures of 1555216 via cif-deposit CGI script. |
1555216.cif |
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