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Information card for entry 1575818
Preview
| Coordinates | 1575818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H23 N O2 |
|---|---|
| Calculated formula | C16 H23 N O2 |
| Title of publication | Versatile method for the synthesis of aminobenziodoxolones and its application to one-pot coupling of arylboronic acids with simple amines |
| Authors of publication | Kawanaka, Kazuki; Narita, Shusuke; Kiyokawa, Kensuke; Minakata, Satoshi |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 6.7802 ± 0.0001 Å |
| b | 9.4831 ± 0.0001 Å |
| c | 22.5161 ± 0.0003 Å |
| α | 90° |
| β | 90.741 ± 0.001° |
| γ | 90° |
| Cell volume | 1447.6 ± 0.03 Å3 |
| Cell temperature | 123.15 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 4 |
| 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 | 0.043 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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 |
|---|---|---|---|
| 302179 (current) | 2025-09-19 | cif/ Adding structures of 1575818 via cif-deposit CGI script. |
1575818.cif |
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Users of the data should acknowledge the original authors of the
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