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Information card for entry 1518833
Preview
| Coordinates | 1518833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H24 N2 O6 |
|---|---|
| Calculated formula | C22 H24 N2 O6 |
| SMILES | Oc1c2C(=O)N(C(=O)c2c(O)c2C(=O)N(C(=O)c12)C1CCCCC1)C1CCCCC1 |
| Title of publication | Polyimide and Imide Compound Exhibiting Bright Red Fluorescence with Very Large Stokes Shifts via Excited-State Intramolecular Proton Transfer |
| Authors of publication | Kanosue, Kenta; Shimosaka, Takamichi; Wakita, Junji; Ando, Shinji |
| Journal of publication | Macromolecules |
| Year of publication | 2015 |
| Journal volume | 48 |
| Journal issue | 6 |
| Pages of publication | 1777 |
| a | 5.12219 ± 0.0001 Å |
| b | 5.25881 ± 0.0001 Å |
| c | 17.6394 ± 0.0004 Å |
| α | 95.2896 ± 0.0013° |
| β | 92.3561 ± 0.0014° |
| γ | 101.217 ± 0.0013° |
| Cell volume | 463.236 ± 0.017 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0706 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1537 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518833.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518833.cif |
| 134849 | 2015-04-04 | cif/ Updating files of 1518833 Original log message: Adding full bibliography for 1518833.cif. |
1518833.cif |
| 133846 | 2015-03-12 | cif/ Adding structures of 1518833 via cif-deposit CGI script. |
1518833.cif |
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Users of the data should acknowledge the original authors of the
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