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Information card for entry 4127743
Preview
| Coordinates | 4127743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H126 N8 O5 Si6 |
|---|---|
| Calculated formula | C94 H126 N8 O5 Si6 |
| SMILES | [Si]123([Si@]4([Si@@](O1)(N(C(C)(C)C)C(=N\C(C)(C)C)\c1ccccc1)c1c5Oc6c3cccc6C(c5ccc1)(C)C)[Si@@]13[Si@@]5(O[Si]61([N](=C(N6C(C)(C)C)c1ccccc1)C(C)(C)C)c1c6Oc7c5cccc7C(C)(c6ccc1)C)N(C(=N\C(C)(C)C)/C1=C[C@H]4C=C[C@H]31)C(C)(C)C)[N](=C(N2C(C)(C)C)c1ccccc1)C(C)(C)C.O(CC)CC.[Si]123([Si@@]4([Si@](O1)(N(C(C)(C)C)C(=N\C(C)(C)C)\c1ccccc1)c1c5Oc6c3cccc6C(c5ccc1)(C)C)[Si@]13[Si@]5(O[Si]61([N](=C(N6C(C)(C)C)c1ccccc1)C(C)(C)C)c1c6Oc7c5cccc7C(C)(c6ccc1)C)N(C(=N\C(C)(C)C)/C1=C[C@@H]4C=C[C@@H]31)C(C)(C)C)[N](=C(N2C(C)(C)C)c1ccccc1)C(C)(C)C.O(CC)CC |
| Title of publication | Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules. |
| Authors of publication | Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 32 |
| Pages of publication | 12916 - 12927 |
| a | 12.4375 ± 0.0005 Å |
| b | 15.7696 ± 0.0007 Å |
| c | 26.0633 ± 0.0012 Å |
| α | 76.348 ± 0.004° |
| β | 77.032 ± 0.004° |
| γ | 77.131 ± 0.004° |
| Cell volume | 4762.4 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1101 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.1655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220917 (current) | 2019-11-02 | cif/ Adding structures of 4127739, 4127740, 4127741, 4127742, 4127743, 4127744, 4127745, 4127746 via cif-deposit CGI script. |
4127743.cif |
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Users of the data should acknowledge the original authors of the
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