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Information card for entry 1567466
Preview
| Coordinates | 1567466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C95 H78 N6 O6 |
|---|---|
| Calculated formula | C95.001 H78.0024 N6 O6 |
| Title of publication | N-doped nonalternant aromatic belt via a six-fold annulative double N-arylation |
| Authors of publication | Sato, Hiroki; Suizu, Rie; Kato, Tomoki; Yagi, Akiko; Segawa, Yasutomo; Awaga, Kunio; Itami, Kenichiro |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 22.2142 ± 0.0014 Å |
| b | 22.2142 ± 0.0014 Å |
| c | 12.977 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5545.8 ± 1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1804 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.1882 |
| Weighted residual factors for all reflections included in the refinement | 0.2443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277219 (current) | 2022-08-13 | cif/ Adding structures of 1567466, 1567467 via cif-deposit CGI script. |
1567466.cif |
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Users of the data should acknowledge the original authors of the
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