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Information card for entry 7113890
Preview
| Coordinates | 7113890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H6 B F15 S |
|---|---|
| Calculated formula | C20 H6 B F15 S |
| SMILES | [B](c1c(c(F)c(F)c(F)c1F)F)([S](C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | B(C6F5)3-catalyzed formation of B‒P bonds by dehydrocoupling of phosphine‒boranes |
| Authors of publication | Denis, Jean-Marc; Forintos, Henrietta; Szelke, Helga; Toupet, Loic; Pham, Thi-Nhàn; Madec, Pierre-Jean; Gaumont, Annie-Claude |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 1 |
| Pages of publication | 54 - 55 |
| a | 17.7574 ± 0.0007 Å |
| b | 11.8948 ± 0.0005 Å |
| c | 20.299 ± 0.0009 Å |
| α | 90° |
| β | 110.101 ± 0.002° |
| γ | 90° |
| Cell volume | 4026.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1124 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for significantly intense reflections | 0.1795 |
| Weighted residual factors for all reflections included in the refinement | 0.2138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103618 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209784 (current) | 2018-08-16 | cif/7/ Updating bibliography in entries 7103616-7103618, 7113888-7113890. Marking entries 7113888-7113890 as duplicates of entries 7103616-7103618. |
7113890.cif |
| 206958 | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7113890.cif |
| 180252 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38. |
7113890.cif |
| 132197 | 2015-02-21 | cif/7/11/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 7113888, 7113889, 7113890. |
7113890.cif |
| 115329 | 2014-06-03 | cif/ Adding structures of 7113888, 7113889, 7113890 via cif-deposit CGI script. |
7113890.cif |
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Users of the data should acknowledge the original authors of the
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