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Information card for entry 4085474
Preview
| Coordinates | 4085474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (PhCCPh)Si(NDipp)(SiMe3)Si(SiMe3)3 |
|---|---|
| Formula | C38 H63 N Si6 |
| Calculated formula | C38 H63 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)c1ccccc1 |
| 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 | 9.9278 ± 0.0001 Å |
| b | 11.8017 ± 0.0001 Å |
| c | 18.746 ± 0.0003 Å |
| α | 98.3341 ± 0.0005° |
| β | 92.6338 ± 0.0005° |
| γ | 96.0275 ± 0.0006° |
| Cell volume | 2156.98 ± 0.04 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 | 0.1125 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections | 0.1067 |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.0437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1397 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4085474.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. |
4085474.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. |
4085474.cif |
| 131607 | 2015-02-10 | cif/ Adding structures of 4085469, 4085470, 4085471, 4085472, 4085473, 4085474 via cif-deposit CGI script. |
4085474.cif |
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Users of the data should acknowledge the original authors of the
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