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Information card for entry 4519070
Preview
| Coordinates | 4519070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | VL_909_aftercol_250K |
|---|---|
| Formula | C31 H31 N O6.5 S |
| Calculated formula | C31 H31 N O6.5 S |
| Title of publication | Enantioselective Inverse-Electron Demand Aza-Diels–Alder Reaction: ipso,α-Selectivity of Silyl Dienol Ethers |
| Authors of publication | Laina-Martín, Víctor; Humbrías-Martín, Jorge; Mas-Ballesté, Rubén; Fernández-Salas, Jose A.; Alemán, José |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 19 |
| Pages of publication | 12133 - 12145 |
| a | 10.5571 ± 0.0002 Å |
| b | 12.9667 ± 0.0004 Å |
| c | 21.3679 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2925.07 ± 0.13 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0567 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269492 (current) | 2021-10-03 | cif/ Adding structures of 4519070 via cif-deposit CGI script. |
4519070.cif |
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Users of the data should acknowledge the original authors of the
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