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Information card for entry 1550844
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| Coordinates | 1550844.cif |
|---|---|
| Structure factors | 1550844.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine |
|---|---|
| Formula | C24 H18 N4 |
| Calculated formula | C24 H18 N4 |
| SMILES | c1ccccc1c1cc(c2ccc(cc2)CN=N#N)cc(c2ccccc2)n1 |
| Title of publication | 4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine |
| Authors of publication | Cheng, Xingwang; Du, Yanan; Guo, Hui; Chen, Zhiyuan; Tian, Yupeng |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 4 |
| Pages of publication | x190295 |
| a | 12.8109 ± 0.0013 Å |
| b | 19.708 ± 0.002 Å |
| c | 11.4152 ± 0.0012 Å |
| α | 90° |
| β | 108.649 ± 0.001° |
| γ | 90° |
| Cell volume | 2730.8 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214505 (current) | 2019-04-05 | cif/ hkl/ Adding structures of 1550844 via cif-deposit CGI script. |
1550844.cif 1550844.hkl |
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