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Information card for entry 1577446
Preview
| Coordinates | 1577446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H43 N2 Na |
|---|---|
| Calculated formula | C27 H43 N2 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 | 10.2287 ± 0.0003 Å |
| b | 29.1158 ± 0.0009 Å |
| c | 62.3989 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18583.4 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.2063 |
| Residual factor for significantly intense reflections | 0.1609 |
| Weighted residual factors for significantly intense reflections | 0.3563 |
| Weighted residual factors for all reflections included in the refinement | 0.3847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306664 (current) | 2026-06-26 | cif/ Adding structures of 1577444, 1577445, 1577446 via cif-deposit CGI script. |
1577446.cif |
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