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Information card for entry 1574418
Preview
| Coordinates | 1574418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 7e |
|---|---|
| Formula | C42 H36 |
| Calculated formula | C42 H36 |
| Title of publication | Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds |
| Authors of publication | Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 25.7173 ± 0.0012 Å |
| b | 13.4757 ± 0.0006 Å |
| c | 8.5134 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2950.4 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 68 |
| Hermann-Mauguin space group symbol | C c c a :2 |
| Hall space group symbol | -C 2a 2ac |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299319 (current) | 2025-04-18 | cif/ Adding structures of 1574417, 1574418, 1574419 via cif-deposit CGI script. |
1574418.cif |
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Users of the data should acknowledge the original authors of the
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