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Information card for entry 4347994
Preview
| Coordinates | 4347994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H12 N2 O3 |
|---|---|
| Calculated formula | C12 H12 N2 O3 |
| SMILES | O=C1N(C(=N/C1=C\c1c(O)ccc(O)c1)C)C |
| Title of publication | Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems. |
| Authors of publication | Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 15 |
| Pages of publication | 7257 - 7264 |
| a | 7.0858 ± 0.0002 Å |
| b | 7.1022 ± 0.0002 Å |
| c | 11.1505 ± 0.0004 Å |
| α | 79.694 ± 0.001° |
| β | 78.502 ± 0.001° |
| γ | 78.265 ± 0.001° |
| Cell volume | 532.76 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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 |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4347994.cif |
| 232625 | 2019-11-23 | cif/ Adding structures of 4347994 via cif-deposit CGI script. |
4347994.cif |
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Users of the data should acknowledge the original authors of the
structural data.