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Information card for entry 7160661
Preview
| Coordinates | 7160661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | JB-20220705 |
|---|---|
| Formula | C23 H27 Br N4 |
| Calculated formula | C23 H27 Br N4 |
| Title of publication | Transposed N-Heterocyclic Olefins from the Reaction of Eschenmoser Hydrazones with N-Heterocyclic Carbenes |
| Authors of publication | Lu, Qi; Rajendran, N. M.; Bouffard, Jean |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 12.1437 ± 0.0007 Å |
| b | 13.1023 ± 0.0008 Å |
| c | 13.9203 ± 0.0008 Å |
| α | 90° |
| β | 106.002 ± 0.002° |
| γ | 90° |
| Cell volume | 2129 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0366 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301687 (current) | 2025-08-08 | cif/ Adding structures of 7160661 via cif-deposit CGI script. |
7160661.cif |
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