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Information card for entry 1557999
Preview
| Coordinates | 1557999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H37 Br N O2 Si |
|---|---|
| Calculated formula | C31 H37 Br N O2 Si |
| Title of publication | Ring-fused cyclobutanes via cycloisomerization of alkylidenecyclopropane acylsilanes |
| Authors of publication | Eichenberger, Sarah; Hönig, Moritz; Richter, Matthieu J. R.; Gershoni-Poranne, Renana; Carreira, Erick M. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 20 |
| Pages of publication | 5294 - 5298 |
| a | 19.002 ± 0.0001 Å |
| b | 8.3505 ± 0.0001 Å |
| c | 18.6504 ± 0.0001 Å |
| α | 90° |
| β | 106.546 ± 0.001° |
| γ | 90° |
| Cell volume | 2836.83 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0362 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557999.cif |
| 257341 | 2020-10-06 | cif/ Updating files of 1557999 Original log message: Adding full bibliography for 1557999.cif. |
1557999.cif |
| 252734 | 2020-06-05 | cif/ Updating files of 1557999 Original log message: Adding full bibliography for 1557999.cif. |
1557999.cif |
| 251514 | 2020-05-05 | cif/ Adding structures of 1557999 via cif-deposit CGI script. |
1557999.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.