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Information card for entry 4514541
Preview
| Coordinates | 4514541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H22 N2 O5 |
|---|---|
| Calculated formula | C22 H22 N2 O5 |
| SMILES | O=C(N/N=C/c1c(OC)ccc2c1cccc2)c1cc(OC)c(OC)c(OC)c1 |
| Title of publication | New Acylhydrazone Photoswitches with Quantitative Conversion and High Quantum Yield but without Hydrogen Bond Stabilizing ( Z)-Isomer. |
| Authors of publication | Yuan, Ying-Xue; Zheng, Yan-Song |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 7 |
| Pages of publication | 7303 - 7310 |
| a | 30.83 ± 0.003 Å |
| b | 8.2576 ± 0.0008 Å |
| c | 24.308 ± 0.003 Å |
| α | 90° |
| β | 108.745 ± 0.002° |
| γ | 90° |
| Cell volume | 5860.1 ± 1.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.116 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514541.cif |
| 219726 | 2019-10-28 | cif/ Adding structures of 4514541 via cif-deposit CGI script. |
4514541.cif |
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Users of the data should acknowledge the original authors of the
structural data.