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Information card for entry 2237105
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| Coordinates | 2237105.cif |
|---|---|
| Structure factors | 2237105.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (Biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium trifluoromethanesulfonate |
|---|---|
| Formula | C21 H26 F3 O3 P S |
| Calculated formula | C21 H26 F3 O3 P S |
| SMILES | [P+]1(c2ccccc2c2ccccc12)(C(C)(C)C)C(C)(C)C.C(S(=O)(=O)[O-])(F)(F)F |
| Title of publication | (Biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium trifluoromethanesulfonate |
| Authors of publication | Muller, Alfred; Holzapfel, Cedric W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | o20 |
| a | 12.1339 ± 0.001 Å |
| b | 12.1339 ± 0.001 Å |
| c | 30.057 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4425.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.1183 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2237105.cif 2237105.hkl |
| 181293 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/71. |
2237105.cif 2237105.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237105.cif 2237105.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237105.cif 2237105.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237105.cif 2237105.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237105.cif 2237105.hkl |
| 73313 | 2013-02-20 | cif/ Adding structures of 2237105 via cif-deposit CGI script. |
2237105.cif |
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Users of the data should acknowledge the original authors of the
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