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Information card for entry 7064077
Preview
| Coordinates | 7064077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H27 Cl N2 O |
|---|---|
| Calculated formula | C21 H27 Cl N2 O |
| Title of publication | Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis |
| Authors of publication | Isaeva, Dilshodakhon K.; Topchiy, Maxim; Drokin, Egor A.; Rasskazova, Maria A.; Smol'yakov, Alexander F.; Minaeva, Lidiya; Asachenko, Andrey |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 9.1103 ± 0.0011 Å |
| b | 13.9656 ± 0.0017 Å |
| c | 15.3213 ± 0.0018 Å |
| α | 90° |
| β | 100.211 ± 0.005° |
| γ | 90° |
| Cell volume | 1918.5 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303049 (current) | 2025-10-28 | cif/ Adding structures of 7064076, 7064077, 7064078, 7064079, 7064080, 7064081, 7064082 via cif-deposit CGI script. |
7064077.cif |
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Users of the data should acknowledge the original authors of the
structural data.