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Information card for entry 1554244
Preview
| Coordinates | 1554244.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H33 N3 O2 |
|---|---|
| Calculated formula | C41 H33 N3 O2 |
| SMILES | c1(c(cc(cc1C)C)C)N1C(=O)c2c(C1=O)cc(c(c2)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 |
| Title of publication | 4,5-Diaminophthalimides: highly efficient solid-state fluorophores and turn-on type fluorescent probes for hydrazine |
| Authors of publication | Shimizu, Masaki; Tamagawa, Tomokazu; Nishimura, Kenta |
| Journal of publication | Materials Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 563 |
| a | 15.538 ± 0.004 Å |
| b | 13.276 ± 0.004 Å |
| c | 16.39 ± 0.005 Å |
| α | 90° |
| β | 101.907 ± 0.006° |
| γ | 90° |
| Cell volume | 3308.2 ± 1.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0764 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 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. |
1554244.cif |
| 237057 | 2019-11-24 | cif/ Adding structures of 1554244 via cif-deposit CGI script. |
1554244.cif |
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Users of the data should acknowledge the original authors of the
structural data.