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Information card for entry 1573847
Preview
| Coordinates | 1573847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 B3 N2 O3 |
|---|---|
| Calculated formula | C23 H21 B3 N2 O3 |
| Title of publication | Borate-Catalysed Direct Amidation Reactions of Coordinating Substrates |
| Authors of publication | Procter, Richard James; Alamillo-Ferrer, Carla; Shabbir, Usman; Britton, Phyllida; Bucar, Dejan-Kresimir; Dumon, Alexandre Samuel; Rzepa, Henry S.; Bures, Jordi; Whiting, Andrew; Sheppard, Tom |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 6.81856 ± 0.00004 Å |
| b | 18.79523 ± 0.00011 Å |
| c | 32.85532 ± 0.00019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4210.62 ± 0.04 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297591 (current) | 2025-02-05 | cif/ Adding structures of 1573847 via cif-deposit CGI script. |
1573847.cif |
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Users of the data should acknowledge the original authors of the
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