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Information card for entry 1567715
Preview
| Coordinates | 1567715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-cyclohexyl-1,1-dipropylurea |
|---|---|
| Formula | C13 H26 N2 O |
| Calculated formula | C13 H26 N2 O |
| 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 | 16.5207 ± 0.0004 Å |
| b | 9.9632 ± 0.0002 Å |
| c | 34.818 ± 0.0009 Å |
| α | 90° |
| β | 91.771 ± 0.002° |
| γ | 90° |
| Cell volume | 5728.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.1717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1567715.cif |
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Users of the data should acknowledge the original authors of the
structural data.