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Information card for entry 7232853
Preview
| Coordinates | 7232853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H38 N2 O4 |
|---|---|
| Calculated formula | C38 H38 N2 O4 |
| Title of publication | Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes |
| Authors of publication | Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 30 |
| Pages of publication | 17035 |
| a | 4.755 ± 0.015 Å |
| b | 6.057 ± 0.019 Å |
| c | 27.46 ± 0.09 Å |
| α | 86.36 ± 0.09° |
| β | 89.245 ± 0.01° |
| γ | 84 ± 0.06° |
| Cell volume | 785 ± 4 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.1026 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1529 |
| Weighted residual factors for all reflections included in the refinement | 0.212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232853.cif |
| 215648 | 2019-06-01 | cif/ Adding structures of 7232853, 7232854, 7232855, 7232856 via cif-deposit CGI script. |
7232853.cif |
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Users of the data should acknowledge the original authors of the
structural data.