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Information card for entry 2237293
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| Coordinates | 2237293.cif |
|---|---|
| Structure factors | 2237293.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,3',5,5'-Tetra-<i>tert</i>-butyl-2'-hydroxy-[1,1'-biphenyl]-2-yl 4-methylbenzenesulfonate |
|---|---|
| Formula | C35 H48 O4 S |
| Calculated formula | C35 H48 O4 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C |
| Title of publication | 3,3',5,5'-Tetra-<i>tert</i>-butyl-2'-hydroxy-[1,1'-biphenyl]-2-yl 4-methylbenzenesulfonate |
| Authors of publication | Jian, Chunli; Zhang, Jinjin; Wang, Lei; Tang, Ning; Wu, Jincai |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o186 |
| a | 9.885 ± 0.002 Å |
| b | 12.948 ± 0.003 Å |
| c | 13.6 ± 0.003 Å |
| α | 101.761 ± 0.002° |
| β | 102.539 ± 0.002° |
| γ | 92.004 ± 0.002° |
| Cell volume | 1657.8 ± 0.6 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 | 0.171 |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for significantly intense reflections | 0.1628 |
| Weighted residual factors for all reflections included in the refinement | 0.2048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (current) | 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 2/23/72. |
2237293.cif 2237293.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. |
2237293.cif 2237293.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. | 2237293.cif 2237293.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237293.cif 2237293.hkl |
| 75293 | 2013-03-09 | cif/ Adding structures of 2237293 via cif-deposit CGI script. |
2237293.cif |
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Users of the data should acknowledge the original authors of the
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