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Information card for entry 4348000
Preview
| Coordinates | 4348000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H14 N2 O |
|---|---|
| Calculated formula | C13 H14 N2 O |
| SMILES | O=C1N(C(=N/C1=C\c1cccc(c1)C)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 | 7.5769 ± 0.0002 Å |
| b | 21.9043 ± 0.0007 Å |
| c | 7.5614 ± 0.0002 Å |
| α | 90° |
| β | 118.253 ± 0.001° |
| γ | 90° |
| Cell volume | 1105.43 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0433 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1015 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
4348000.cif |
| 232632 | 2019-11-23 | cif/ Adding structures of 4348000 via cif-deposit CGI script. |
4348000.cif |
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Users of the data should acknowledge the original authors of the
structural data.