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Information card for entry 2239272
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| Coordinates | 2239272.cif |
|---|---|
| Structure factors | 2239272.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1',1'',1'''-(Oxydimethanetriyl)tetrakis(4-fluorobenzene) |
|---|---|
| Formula | C26 H18 F4 O2 |
| Calculated formula | C26 H18 F4 O |
| SMILES | Fc1ccc(cc1)C(c1ccc(cc1)F)OC(c1ccc(cc1)F)c1ccc(cc1)F |
| Title of publication | 1,1',1'',1'''-(Oxydimethanetriyl)tetrakis(4-fluorobenzene) |
| Authors of publication | Roopashree, K. R.; Kavitha, H. D.; Katagi, K. S.; Kotresh, O.; Devarajegowda, H. C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | o475 |
| a | 8.1754 ± 0.0002 Å |
| b | 8.9536 ± 0.0002 Å |
| c | 15.3193 ± 0.0004 Å |
| α | 104.965 ± 0.002° |
| β | 95.175 ± 0.002° |
| γ | 107.354 ± 0.002° |
| Cell volume | 1016.87 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181892 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239272.cif 2239272.hkl |
| 181311 | 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 2/23/92. |
2239272.cif 2239272.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. |
2239272.cif 2239272.hkl |
| 108844 | 2014-04-03 | cif/ hkl/ Adding structures of 2239272 via cif-deposit CGI script. |
2239272.cif 2239272.hkl |
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