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Information card for entry 7058096
Preview
| Coordinates | 7058096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H13 N3 O3 |
|---|---|
| Calculated formula | C12 H13 N3 O3 |
| Title of publication | Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures |
| Authors of publication | Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 6 |
| Pages of publication | 2740 |
| a | 21.3276 ± 0.0008 Å |
| b | 5.821 ± 0.0003 Å |
| c | 20.1338 ± 0.0009 Å |
| α | 90° |
| β | 100.475 ± 0.004° |
| γ | 90° |
| Cell volume | 2457.91 ± 0.19 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1227 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058096.cif |
| 224829 | 2019-11-08 | cif/ Updating files of 7058094, 7058095, 7058096, 7058097 Original log message: Adding full bibliography for 7058094--7058097.cif. |
7058096.cif |
| 212985 | 2019-01-11 | cif/ Adding structures of 7058094, 7058095, 7058096, 7058097 via cif-deposit CGI script. |
7058096.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.