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Information card for entry 7036439
Preview
| Coordinates | 7036439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H30 B Br O2 Si |
|---|---|
| Calculated formula | C23 H30 B Br O2 Si |
| Title of publication | The carboboration of Me3Si-substituted alkynes and allenes with boranes and borocations. |
| Authors of publication | Lawson, James R.; Fasano, Valerio; Cid, Jessica; Vitorica-Yrezabal, Inigo; Ingleson, Michael J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 14 |
| Pages of publication | 6060 - 6070 |
| a | 11.5585 ± 0.0007 Å |
| b | 18.482 ± 0.0008 Å |
| c | 12.0048 ± 0.0009 Å |
| α | 90° |
| β | 115.161 ± 0.008° |
| γ | 90° |
| Cell volume | 2321.2 ± 0.3 Å3 |
| Cell temperature | 150.02 ± 0.1 K |
| Ambient diffraction temperature | 150.02 ± 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 | 0.0929 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036439.cif |
| 181717 | 2016-04-05 | cif/ Updating files of 7036438, 7036439 Original log message: Adding full bibliography for 7036438--7036439.cif. |
7036439.cif |
| 155489 | 2015-09-09 | cif/ Adding structures of 7036438, 7036439 via cif-deposit CGI script. |
7036439.cif |
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Users of the data should acknowledge the original authors of the
structural data.