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Information card for entry 7246944
Preview
| Coordinates | 7246944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H26 N2 O4 |
|---|---|
| Calculated formula | C42 H26 N2 O4 |
| Title of publication | Structure and properties of naphthalene-diimide <i>N</i>-functionalized with stilbene. |
| Authors of publication | Sosorev, Andrey Yu; Ponomarev, Igor I.; Dominskiy, Dmitry I.; Lyssenko, Konstantin A.; Parashchuk, Olga D.; Trukhanov, Vasily A.; Konstantinov, Vladislav G.; Dubinets, Nikita O.; Paraschuk, Dmitry Yu |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 29 |
| Pages of publication | 19562 - 19575 |
| a | 25.526 ± 0.006 Å |
| b | 5.3037 ± 0.0018 Å |
| c | 23.743 ± 0.006 Å |
| α | 90° |
| β | 116.39 ± 0.009° |
| γ | 90° |
| Cell volume | 2879.4 ± 1.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0829 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285527 (current) | 2023-08-05 | cif/ Updating files of 7246944 Original log message: Adding full bibliography for 7246944.cif. |
7246944.cif |
| 284670 | 2023-06-29 | cif/ Adding structures of 7246944 via cif-deposit CGI script. |
7246944.cif |
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Users of the data should acknowledge the original authors of the
structural data.