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Information card for entry 2300044
Preview
| Coordinates | 2300044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-(2-methoxyphenyl-2-(methoxyphenyldiazenyl)-4,6-dinitrobenzamide |
|---|---|
| Formula | C21 H17 N5 O7 |
| Calculated formula | C21 H17 N5 O7 |
| SMILES | c1(c(cc(cc1/N=N/c1c(cccc1)OC)N(=O)=O)N(=O)=O)C(=O)Nc1ccccc1OC |
| Title of publication | Unexpected molecular structure from laboratory powder diffraction data |
| Authors of publication | Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A. |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2002 |
| Journal volume | 35 |
| Journal issue | 6 |
| Pages of publication | 669 - 673 |
| a | 22.788 ± 0.008 Å |
| b | 13.018 ± 0.006 Å |
| c | 6.92 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2052.8 ± 1.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Goodness-of-fit parameter for all reflections | 4.14 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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