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Information card for entry 1558745
Preview
| Coordinates | 1558745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H31 N3 O4 |
|---|---|
| Calculated formula | C23 H31 N3 O4 |
| Title of publication | Excited State Electron Transfer from Donor−π System–Acceptor Dyes to ZnO Nanocrystals |
| Authors of publication | Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2020 |
| Journal volume | 124 |
| Journal issue | 28 |
| Pages of publication | 15565 - 15573 |
| a | 10.072 ± 0.003 Å |
| b | 10.703 ± 0.004 Å |
| c | 41.298 ± 0.013 Å |
| α | 90° |
| β | 90.973 ± 0.01° |
| γ | 90° |
| Cell volume | 4451 ± 3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.1865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| 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. |
1558745.cif |
| 257153 | 2020-10-04 | cif/ Updating files of 1558744, 1558745 Original log message: Adding full bibliography for 1558744--1558745.cif. |
1558745.cif |
| 254754 | 2020-08-04 | cif/ Adding structures of 1558745 via cif-deposit CGI script. |
1558745.cif |
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Users of the data should acknowledge the original authors of the
structural data.