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Information card for entry 7120811
Preview
| Coordinates | 7120811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 N4 |
|---|---|
| Calculated formula | C13 H10 N4 |
| SMILES | N(=C(c1ncccc1)\C#N)/Nc1ccccc1 |
| Title of publication | Reversible Regulating of Crystal Structures Based on Isomerization of Phenylhydrazones |
| Authors of publication | Ma, Lulu; Yuan, Zexing; Huang, Zhenguo; Jin, Jingyi; Cao, Duxia; Guan, Ruifang; Chen, Qifeng; sun, xuan |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 22.881 ± 0.002 Å |
| b | 15.2104 ± 0.0008 Å |
| c | 7.5406 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2624.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 3 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1203 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1606 |
| Weighted residual factors for all reflections included in the refinement | 0.2073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| 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 |
|---|---|---|---|
| 202257 (current) | 2017-10-24 | cif/ Adding structures of 7120810, 7120811 via cif-deposit CGI script. |
7120811.cif |
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Users of the data should acknowledge the original authors of the
structural data.