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Information card for entry 7235114
Preview
| Coordinates | 7235114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | ht-dma |
|---|---|
| Formula | C13 H13 N5 |
| Calculated formula | C13 H13 N5 |
| SMILES | N(=C\c1ccc(N(C)C)cc1)/C(=C(N)/C#N)/C#N |
| Title of publication | Diaminomaleonitrile-based Schiff bases: aggregation-enhanced emission, red fluorescence, mechanochromism and bioimaging applications |
| Authors of publication | Ting Han; Xinggui Gu; Jacky W. Y. Lam; Anakin C. S. Leung; Ryan T. K. Kwok; Tianyu Han; Bin Tong; Jianbing Shi; Yuping Dong; Ben Zhong Tang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 10430 - 10434 |
| a | 12.067 ± 0.003 Å |
| b | 7.0775 ± 0.0017 Å |
| c | 15.484 ± 0.004 Å |
| α | 90° |
| β | 110.374 ± 0.003° |
| γ | 90° |
| Cell volume | 1239.7 ± 0.5 Å3 |
| Cell temperature | 153.15 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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 |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235114.cif |
| 227870 | 2019-11-15 | cif/ Adding structures of 7235114, 7235115 via cif-deposit CGI script. |
7235114.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.