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Information card for entry 1551383
Preview
| Coordinates | 1551383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | CP3O |
|---|---|
| Formula | C66.91 H60.78 Cl0.78 O7.51 |
| Calculated formula | C66.905 H60.784 Cl0.784 O7.513 |
| Title of publication | A remarkably strained cyclopyrenylene trimer that undergoes metal-free direct oxygen insertion into the biaryl C‒C σ-bond |
| Authors of publication | Kurosaki, Ryo; Hayashi, Hironobu; Suzuki, Mitsuhara; Jiang, Julong; Hatanaka, Miho; Aratani, Naoki; Yamada, Hiroko |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 17.7176 ± 0.0019 Å |
| b | 18.088 ± 0.002 Å |
| c | 18.855 ± 0.002 Å |
| α | 109.807 ± 0.0019° |
| β | 114.343 ± 0.0019° |
| γ | 91.189 ± 0.002° |
| Cell volume | 5088.1 ± 1 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 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 | 0.1777 |
| Residual factor for significantly intense reflections | 0.0829 |
| Weighted residual factors for significantly intense reflections | 0.2091 |
| Weighted residual factors for all reflections included in the refinement | 0.2715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215902 (current) | 2019-06-13 | cif/ Adding structures of 1551382, 1551383 via cif-deposit CGI script. |
1551383.cif |
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