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Information card for entry 1577389
Preview
| Coordinates | 1577389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H59 N3 O2 P2 Ru |
|---|---|
| Calculated formula | C59 H59 N3 O2 P2 Ru |
| Title of publication | Ruthenium hydride catalyzed α-alkylation of ketones with primary alcohols for access to bioactive molecules using the borrowing hydrogen approach |
| Authors of publication | Singh, Ovender; Kim, Youngsuk; Chauhan, Rahul; Lee, Junseong; Tyagi, Nidhi |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2026 |
| a | 24.3079 ± 0.0009 Å |
| b | 11.5688 ± 0.0003 Å |
| c | 36.6542 ± 0.0011 Å |
| α | 90° |
| β | 101.743 ± 0.002° |
| γ | 90° |
| Cell volume | 10091.9 ± 0.6 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0591 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306534 (current) | 2026-06-09 | cif/ Adding structures of 1577389 via cif-deposit CGI script. |
1577389.cif |
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Users of the data should acknowledge the original authors of the
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