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Information card for entry 1567712
Preview
| Coordinates | 1567712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H7 B Cl3 N |
|---|---|
| Calculated formula | C8 H7 B Cl3 N |
| Title of publication | Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids |
| Authors of publication | Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 19 |
| Pages of publication | 5982 - 5990 |
| a | 15.121 ± 0.002 Å |
| b | 6.9264 ± 0.0007 Å |
| c | 9.8879 ± 0.0013 Å |
| α | 90° |
| β | 109.906 ± 0.014° |
| γ | 90° |
| Cell volume | 973.7 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278331 (current) | 2022-10-04 | cif/ Adding structures of 1567708, 1567709, 1567710, 1567711, 1567712, 1567713, 1567714, 1567715, 1567716, 1567717, 1567718 via cif-deposit CGI script. |
1567712.cif |
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Users of the data should acknowledge the original authors of the
structural data.