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Information card for entry 1577444
Preview
| Coordinates | 1577444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H81 Ca Na |
|---|---|
| Calculated formula | C63 H81 Ca Na |
| 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 | 11.8319 ± 0.0003 Å |
| b | 16.0165 ± 0.0005 Å |
| c | 16.8588 ± 0.0005 Å |
| α | 63.424 ± 0.003° |
| β | 77.319 ± 0.003° |
| γ | 69.659 ± 0.003° |
| Cell volume | 2671.28 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1026 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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