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Information card for entry 4030573
Preview
| Coordinates | 4030573.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H25 B F15 N Si2 |
|---|---|
| Calculated formula | C37 H25 B F15 N Si2 |
| SMILES | [Si](C#Cc1n(c2c(c1C(=C(\B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)\[Si](C)(C)C)cccc2)C)(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 | 10.4022 ± 0.0006 Å |
| b | 13.0301 ± 0.0008 Å |
| c | 14.716 ± 0.0008 Å |
| α | 109.281 ± 0.004° |
| β | 95.936 ± 0.005° |
| γ | 93.636 ± 0.005° |
| Cell volume | 1862.52 ± 0.19 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0748 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
4030573.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. |
4030573.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. |
4030573.cif |
| 130741 | 2015-02-04 | cif/ Adding structures of 4030573, 4030574, 4030575, 4030576, 4030577, 4030578 via cif-deposit CGI script. |
4030573.cif |
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Users of the data should acknowledge the original authors of the
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