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Information card for entry 4030576
Preview
| Coordinates | 4030576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H21 F5 O S Si2 |
|---|---|
| Calculated formula | C20 H21 F5 O S Si2 |
| SMILES | [Si](c1c2sccc2c([Si](C)(C)C)c(c1O)c1c(F)c(F)c(F)c(F)c1F)(C)(C)C |
| Title of publication | Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways. |
| Authors of publication | Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 4 |
| Pages of publication | 2240 - 2248 |
| a | 24.4029 ± 0.0008 Å |
| b | 6.2523 ± 0.0002 Å |
| c | 29.3312 ± 0.001 Å |
| α | 90° |
| β | 102.229 ± 0.002° |
| γ | 90° |
| Cell volume | 4373.6 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4030576.cif |
| 178484 | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/05. |
4030576.cif |
| 132916 | 2015-03-04 | cif/ Updating files of 4030573, 4030574, 4030575, 4030576, 4030577, 4030578 Original log message: Adding full bibliography for 4030573--4030578.cif. |
4030576.cif |
| 130741 | 2015-02-04 | cif/ Adding structures of 4030573, 4030574, 4030575, 4030576, 4030577, 4030578 via cif-deposit CGI script. |
4030576.cif |
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Users of the data should acknowledge the original authors of the
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