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Information card for entry 1546937
Preview
| Coordinates | 1546937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H27 N3 O2 Si |
|---|---|
| Calculated formula | C24 H27 N3 O2 Si |
| SMILES | [Si](C(=N#N)C1=NC(=O)OC21CCCC2)(c1ccccc1)(c1ccccc1)C(C)(C)C |
| Title of publication | Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades |
| Authors of publication | Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 13.0101 ± 0.0006 Å |
| b | 10.7484 ± 0.0005 Å |
| c | 16.4288 ± 0.0007 Å |
| α | 90° |
| β | 106.67 ± 0.001° |
| γ | 90° |
| Cell volume | 2200.81 ± 0.17 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0308 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200154 (current) | 2017-09-05 | cif/ Adding structures of 1546932, 1546933, 1546934, 1546935, 1546936, 1546937 via cif-deposit CGI script. |
1546937.cif |
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Users of the data should acknowledge the original authors of the
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