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Information card for entry 7115189
Preview
| Coordinates | 7115189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H33 B F4 S2 |
|---|---|
| Calculated formula | C28 H33 B F4 S2 |
| Title of publication | Synthesis, structure and redox reactions of a new crowded benzodithiolium salt: first isolation and characterization of a stable dithiolyl radical with a 7π electron framework |
| Authors of publication | Ogawa, Satoshi; Kikuchi, Mieko; Sato, Ryu; Kawai, Yasushi; Niizuma, Shigeya |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 18 |
| Pages of publication | 1891 |
| a | 26.387 ± 0.008 Å |
| b | 13.177 ± 0.007 Å |
| c | 19.851 ± 0.007 Å |
| α | 90° |
| β | 122.91 ± 0.02° |
| γ | 90° |
| Cell volume | 5795 ± 4 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 significantly intense reflections | 0.1049 |
| Weighted residual factors for significantly intense reflections | 0.1514 |
| Goodness-of-fit parameter for significantly intense reflections | 1.225 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295880 (current) | 2024-11-12 | Corrected misspelt versions of the _atom_sites_solution_hydrogens, _atom_sites_solution_primary and _atom_sites_solution_secodnary data names in entries 7115189, 7203862, 7203877, 7203912, 7203913, 7204243, 7204290, 7204292, 7238066, 7238067, 7238072, 7238073, 7238074. |
7115189.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7115189.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
7115189.cif |
| 120128 | 2014-07-12 | cif/ Adding structures of 7115189 via cif-deposit CGI script. |
7115189.cif |
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