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Information card for entry 7229787
Preview
| Coordinates | 7229787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H23 N3 O4 |
|---|---|
| Calculated formula | C26 H23 N3 O4 |
| SMILES | O(c1ccc(N(c2ccccc2)c2ccc(cc2)C=C2C(=O)N(C(=O)N(C2=O)C)C)cc1)C |
| Title of publication | Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off–on fluorescence switching |
| Authors of publication | Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 5 |
| Pages of publication | 643 |
| a | 38.228 ± 0.008 Å |
| b | 7.21 ± 0.0014 Å |
| c | 16.916 ± 0.003 Å |
| α | 90° |
| β | 110.72 ± 0.03° |
| γ | 90° |
| Cell volume | 4360.9 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0967 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9 |
| Diffraction radiation wavelength | 0.63 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229787.cif |
| 228958 | 2019-11-17 | cif/ Updating files of 7229783, 7229784, 7229785, 7229786, 7229787 Original log message: Adding full bibliography for 7229783--7229787.cif. |
7229787.cif |
| 204533 | 2017-12-27 | cif/ Adding structures of 7229783, 7229784, 7229785, 7229786, 7229787 via cif-deposit CGI script. |
7229787.cif |
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Users of the data should acknowledge the original authors of the
structural data.