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Information card for entry 4085473
Preview
| Coordinates | 4085473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H59 N Si6 |
|---|---|
| Calculated formula | C32 H59 N Si6 |
| SMILES | [Si]1([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)c2c(cccc2C(C)C)C(C)C)C=C1c1ccccc1 |
| Title of publication | Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry |
| Authors of publication | Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2126 |
| a | 9.9961 ± 0.0003 Å |
| b | 12.1873 ± 0.0004 Å |
| c | 17.8179 ± 0.0005 Å |
| α | 101.382 ± 0.003° |
| β | 91.531 ± 0.002° |
| γ | 113.17 ± 0.003° |
| Cell volume | 1943.18 ± 0.12 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for all reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0278 |
| Weighted residual factors for all reflections included in the refinement | 0.0276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1106 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4085473.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4085473.cif |
| 141383 | 2015-07-09 | cif/ Updating files of 4085469, 4085470, 4085471, 4085472, 4085473, 4085474 Original log message: Adding full bibliography for 4085469--4085474.cif. |
4085473.cif |
| 131607 | 2015-02-10 | cif/ Adding structures of 4085469, 4085470, 4085471, 4085472, 4085473, 4085474 via cif-deposit CGI script. |
4085473.cif |
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