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Information card for entry 1557299
Preview
| Coordinates | 1557299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C5 H12 O4 |
|---|---|
| Calculated formula | C5 H12 O4 |
| SMILES | C(CO)(CO)(CO)CO |
| Title of publication | A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence |
| Authors of publication | Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2926 - 2933 |
| a | 6.0826 ± 0.0012 Å |
| b | 6.0826 ± 0.0012 Å |
| c | 8.792 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 325.29 ± 0.12 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557299.cif |
| 257406 | 2020-10-06 | cif/ Updating files of 1557298, 1557299, 1557300, 1557301 Original log message: Adding full bibliography for 1557298--1557301.cif. |
1557299.cif |
| 250250 | 2020-04-05 | cif/ Updating files of 1557298, 1557299, 1557300, 1557301 Original log message: Adding full bibliography for 1557298--1557301.cif. |
1557299.cif |
| 248063 | 2020-02-12 | cif/ Adding structures of 1557298, 1557299, 1557300, 1557301 via cif-deposit CGI script. |
1557299.cif |
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Users of the data should acknowledge the original authors of the
structural data.