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Information card for entry 1573922
Preview
| Coordinates | 1573922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H52 Fe4 N3 O13 P |
|---|---|
| Calculated formula | C41 H52 Fe4 N3 O13 P |
| Title of publication | Amine groups alter product selectivity and rate of catalytic hydride transfer reactions |
| Authors of publication | Pattanayak, Santanu; Siegel, Rachel E.; Liu, Yiming; Fettinger, James C.; Berben, Louise A. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 17.157 ± 0.004 Å |
| b | 10.6828 ± 0.0009 Å |
| c | 25.135 ± 0.002 Å |
| α | 90° |
| β | 97.4945 ± 0.0014° |
| γ | 90° |
| Cell volume | 4567.5 ± 1.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297729 (current) | 2025-02-14 | cif/ Adding structures of 1573922, 1573923 via cif-deposit CGI script. |
1573922.cif |
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