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Information card for entry 7248756
Preview
| Coordinates | 7248756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | GAB |
|---|---|
| Chemical name | (E)-amino((4-(4-(dimethylamino)styryl)phenyl)amino)methaniminium ethyl carbonate |
| Formula | C18 H24 N6 O3 |
| Calculated formula | C18 H24 N6 O3 |
| SMILES | O(C(=O)[O-])CC.N(c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=[NH2+])N |
| Title of publication | Light-swing CO2 capture: photoirradiation-based chemical CO2 release based on photoisomerization of azobenzene-amine/guanidine derivatives |
| Authors of publication | Murakami, Ryo; Shiota, Keitaro; Uchida, Ayaka; Inagaki, Fuyuhiko |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 12 |
| Pages of publication | 7406 - 7413 |
| a | 7.6781 ± 0.0004 Å |
| b | 27.998 ± 0.0013 Å |
| c | 9.1512 ± 0.0003 Å |
| α | 90° |
| β | 93.736 ± 0.004° |
| γ | 90° |
| Cell volume | 1963.07 ± 0.15 Å3 |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1458 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.1742 |
| Weighted residual factors for all reflections included in the refinement | 0.2096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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 |
|---|---|---|---|
| 293173 (current) | 2024-07-05 | cif/ Updating files of 7248756 Original log message: Adding full bibliography for 7248756.cif. |
7248756.cif |
| 292120 | 2024-05-31 | cif/ Adding structures of 7248756 via cif-deposit CGI script. |
7248756.cif |
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Users of the data should acknowledge the original authors of the
structural data.