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Information card for entry 4071094
Preview
| Coordinates | 4071094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C26 H32 B F3 N2 O3 S |
|---|---|
| Calculated formula | C26 H32 B F3 N2 O3 S |
| SMILES | B([n+]1ccc(N(C)C)cc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Diarylborenium Cations: Synthesis, Structure, and Electrochemistry |
| Authors of publication | Chiu, Ching-Wen; Gabbaï, François P. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 7 |
| Pages of publication | 1657 |
| a | 8.2944 ± 0.0008 Å |
| b | 10.4347 ± 0.001 Å |
| c | 16.1597 ± 0.0015 Å |
| α | 104.688 ± 0.001° |
| β | 96.856 ± 0.001° |
| γ | 100.432 ± 0.001° |
| Cell volume | 1310.3 ± 0.2 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4071094.cif |
| 178599 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/10. |
4071094.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071094.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071094.cif |
| 43039 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071094 via cif-deposit CGI script. |
4071094.cif |
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Users of the data should acknowledge the original authors of the
structural data.