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Information card for entry 1567467
Preview
| Coordinates | 1567467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H55.5 B Cl2 F20 N3 O3 |
|---|---|
| Calculated formula | C79 H55.5 B Cl2 F20 N3 O3 |
| 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 | 32.5289 ± 0.0011 Å |
| b | 13.8777 ± 0.0004 Å |
| c | 32.5269 ± 0.0015 Å |
| α | 90° |
| β | 96.618 ± 0.004° |
| γ | 90° |
| Cell volume | 14585.7 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.2728 |
| Residual factor for significantly intense reflections | 0.1162 |
| Weighted residual factors for significantly intense reflections | 0.3059 |
| Weighted residual factors for all reflections included in the refinement | 0.3935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
1567467.cif |
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