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Information card for entry 4338288
Preview
| Coordinates | 4338288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 B10 F6 O3 S |
|---|---|
| Calculated formula | C10 H14 B10 F6 O3 S |
| SMILES | [C]1234([CH]567[BH]891[B]1%102([BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)OS(=O)(=O)C(F)(F)F)c1ccc(cc1)C(F)(F)F |
| Title of publication | Synthesis, Structural Characterization, and Reactivity Studies of 5-CF3SO3-B10H13. |
| Authors of publication | Berkeley, Emily R.; Ewing, William C.; Carroll, Patrick J.; Sneddon, Larry G. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 5348 - 5358 |
| a | 20.455 ± 0.002 Å |
| b | 8.4276 ± 0.0009 Å |
| c | 11.1528 ± 0.0013 Å |
| α | 90° |
| β | 102.767 ± 0.006° |
| γ | 90° |
| Cell volume | 1875.1 ± 0.4 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0943 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179485 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82. |
4338288.cif |
| 115713 | 2014-06-05 | cif/ Updating files of 4338285, 4338286, 4338287, 4338288, 4338289 Original log message: Adding full bibliography for 4338285--4338289.cif. |
4338288.cif |
| 112487 | 2014-05-02 | cif/ Adding structures of 4338285, 4338286, 4338287, 4338288, 4338289 via cif-deposit CGI script. |
4338288.cif |
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Users of the data should acknowledge the original authors of the
structural data.