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Information card for entry 1572851
Preview
| Coordinates | 1572851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H54 N4 O2 |
|---|---|
| Calculated formula | C40 H54 N4 O2 |
| Title of publication | Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine |
| Authors of publication | Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 12.6958 ± 0.001 Å |
| b | 17.2563 ± 0.0011 Å |
| c | 18.327 ± 0.0013 Å |
| α | 90° |
| β | 107.659 ± 0.002° |
| γ | 90° |
| Cell volume | 3825.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1226 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295411 (current) | 2024-10-10 | cif/ Adding structures of 1572840, 1572841, 1572842, 1572843, 1572844, 1572845, 1572846, 1572847, 1572848, 1572849, 1572850, 1572851, 1572852, 1572853 via cif-deposit CGI script. |
1572851.cif |
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Users of the data should acknowledge the original authors of the
structural data.