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Information card for entry 7129805
Preview
| Coordinates | 7129805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H57 Cl15 F22 Ir N4 O2 P3 |
|---|---|
| Calculated formula | C65 H57 Cl15 F22 Ir N4 O2 P3 |
| Title of publication | Tethered photocatalyst-directed palladium-catalysed C–H allenylation of N-aryl tetrahydroisoquinolines |
| Authors of publication | Li, Mingfeng; Chia, Xiu Li; Zhu, Ye |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 15.5472 ± 0.0008 Å |
| b | 22.4944 ± 0.0012 Å |
| c | 23.7093 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8291.7 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273618 (current) | 2022-03-11 | cif/ Adding structures of 7129805, 7129806 via cif-deposit CGI script. |
7129805.cif |
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