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Information card for entry 1512251
Preview
| Coordinates | 1512251.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 3-[(4-nitrophenyl)imino]-1H,3H-benzo[de]isochromen-1-one |
|---|---|
| Chemical name | 3-[(4-nitrophenyl)imino]-1H,3H-benzo[de]isochromen-1-one |
| Formula | C18 H10 N2 O4 |
| Calculated formula | C18 H10 N2 O4 |
| SMILES | O=C1O/C(=N\c2ccc(N(=O)=O)cc2)c2c3c1cccc3ccc2 |
| Title of publication | Preparation, Characterization, and Electronic Structure of Asymmetric Isonaphthalimide: Mechanism of Dual Fluorescence in Solid State |
| Authors of publication | Ganin, Eduard V.; Masunov, Artëm E.; Siminel, Anatolii V.; Fonari, Marina S. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2013 |
| Journal volume | 117 |
| Journal issue | 35 |
| Pages of publication | 18154 |
| a | 29.36 ± 0.003 Å |
| b | 3.8228 ± 0.0003 Å |
| c | 24.968 ± 0.002 Å |
| α | 90° |
| β | 93.109 ± 0.01° |
| γ | 90° |
| Cell volume | 2798.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0778 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1512251.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. |
1512251.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
1512251.cif |
| 89033 | 2013-10-09 | cif/ Adding structures of 1512251 via cif-deposit CGI script. |
1512251.cif |
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