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Information card for entry 1573983
Preview
| Coordinates | 1573983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H48 Br2 N2 O4 |
|---|---|
| Calculated formula | C40 H48 Br2 N2 O4 |
| Title of publication | Cu-catalyzed [1,3]-asymmetric methoxy rearrangement of N-methoxyanilines: mechanistic insight |
| Authors of publication | Masukawa, Kazuki; Kojima, Amu; Sato, Takuma; Terada, Masahiro; Nakamura, Itaru |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 7 |
| Pages of publication | 2138 - 2142 |
| a | 10.495 ± 0.0006 Å |
| b | 15.3001 ± 0.001 Å |
| c | 11.7177 ± 0.0008 Å |
| α | 90° |
| β | 97.033 ± 0.002° |
| γ | 90° |
| Cell volume | 1867.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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 |
|---|---|---|---|
| 298739 (current) | 2025-04-05 | cif/ Updating files of 1573983 Original log message: Adding full bibliography for 1573983.cif. |
1573983.cif |
| 297845 | 2025-02-26 | cif/ Adding structures of 1573983 via cif-deposit CGI script. |
1573983.cif |
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Users of the data should acknowledge the original authors of the
structural data.