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Information card for entry 7159254
Preview
| Coordinates | 7159254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37.5 H33 Cl7 N2 O6 |
|---|---|
| Calculated formula | C37.5 H27 Cl7 N2 O6 |
| Title of publication | Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF<sub>3</sub>-controlled [2 + 2]-photocycloaddition of 5(4<i>H</i>)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates. |
| Authors of publication | Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2023 |
| Journal volume | 21 |
| Journal issue | 15 |
| Pages of publication | 3203 - 3213 |
| a | 18.0917 ± 0.0006 Å |
| b | 12.0597 ± 0.0005 Å |
| c | 35.4251 ± 0.001 Å |
| α | 90° |
| β | 91.256 ± 0.003° |
| γ | 90° |
| Cell volume | 7727.2 ± 0.5 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283470 (current) | 2023-05-05 | cif/ Updating files of 7159254, 7159255, 7159256 Original log message: Adding full bibliography for 7159254--7159256.cif. |
7159254.cif |
| 282062 | 2023-03-25 | cif/ Adding structures of 7159254, 7159255, 7159256 via cif-deposit CGI script. |
7159254.cif |
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Users of the data should acknowledge the original authors of the
structural data.