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Information card for entry 4129719
Preview
| Coordinates | 4129719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C91 H69 F24 N11 O10 |
|---|---|
| Calculated formula | C91 H69 F24 N11 O10 |
| Title of publication | A Bottom-up Synthesis of Antiaromatic Expanded Phthalocyanines: Pentabenzotriazasmaragdyrins, i.e. Norcorroles of Superphthalocyanines. |
| Authors of publication | Furuyama, Taniyuki; Sato, Takehito; Kobayashi, Nagao |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 43 |
| Pages of publication | 13788 - 13791 |
| a | 11.109 ± 0.002 Å |
| b | 19.269 ± 0.004 Å |
| c | 22.218 ± 0.004 Å |
| α | 67.443 ± 0.002° |
| β | 75.68 ± 0.002° |
| γ | 79.371 ± 0.003° |
| Cell volume | 4234.3 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1312 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.1625 |
| Weighted residual factors for all reflections included in the refinement | 0.1861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240387 (current) | 2019-11-25 | cif/ Adding structures of 4129719 via cif-deposit CGI script. |
4129719.cif |
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Users of the data should acknowledge the original authors of the
structural data.