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Information card for entry 4035855
Preview
| Coordinates | 4035855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H40 Cl3 N3 O7 Si |
|---|---|
| Calculated formula | C45 H40 Cl3 N3 O7 Si |
| SMILES | c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C3=C4[C@H]2[C@@H]2C(=C[C@]4([C@@H]4[C@H]2C(=O)N(C4=O)c2ccccc2)[Si](C)(C)C[C@H]3[C@@H]2[C@H](C1)C(=O)N(C2=O)c1ccccc1)OC.C(Cl)(Cl)Cl.c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C3=C4[C@@H]2[C@H]2C(=C[C@@]4([C@H]4[C@@H]2C(=O)N(C4=O)c2ccccc2)[Si](C)(C)C[C@@H]3[C@H]2[C@@H](C1)C(=O)N(C2=O)c1ccccc1)OC.C(Cl)(Cl)Cl |
| Title of publication | Cascade Multiple Diels-Alder Reactions of Styrene Derivatives with Maleimide or Maleic Anhydride. |
| Authors of publication | Yoshioka, Shohei; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 12 |
| Pages of publication | 6599 - 6606 |
| a | 14.513 ± 0.004 Å |
| b | 13.967 ± 0.004 Å |
| c | 20.43 ± 0.006 Å |
| α | 90° |
| β | 95.626 ± 0.005° |
| γ | 90° |
| Cell volume | 4121 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1404 |
| Residual factor for significantly intense reflections | 0.0982 |
| Weighted residual factors for significantly intense reflections | 0.2916 |
| Weighted residual factors for all reflections included in the refinement | 0.3349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296814 (current) | 2024-12-10 | Changed data name '_diffrn_reflns_point_group_measured_fraction_ful' to '_diffrn_reflns_point_group_measured_fraction_full' in multiple entries. |
4035855.cif |
| 227267 | 2019-11-11 | cif/ Adding structures of 4035855 via cif-deposit CGI script. |
4035855.cif |
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Users of the data should acknowledge the original authors of the
structural data.