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Information card for entry 1577445
Preview
| Coordinates | 1577445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C165 H225 Na7 O3 |
|---|---|
| Calculated formula | C165 H225 Na7 O3 |
| Title of publication | Highly regio- and E-stereoselective C=C bond transposition catalyzed by tris(benzhydryl) sodium calciate. Proof of synergy: one metal is good, but two are better |
| Authors of publication | Koshelev, Ivan V.; Selikhov, Alexander N.; Cherkasov, Anton; Aysin, Rinat R.; Trifonov, Alexander A. |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 16.2185 ± 0.001 Å |
| b | 34.799 ± 0.002 Å |
| c | 27.2802 ± 0.0019 Å |
| α | 90° |
| β | 102.583 ± 0.007° |
| γ | 90° |
| Cell volume | 15026.8 ± 1.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.2274 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.