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Information card for entry 2243964
Preview
| Coordinates | 2243964.cif |
|---|---|
| Structure factors | 2243964.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,3'-([1,1':4',1''-Terphenyl]-2,2''-diyl)bis(2,2,4,4-tetramethylpentan-3-ol) dichloromethane monosolvate |
|---|---|
| Formula | C37 H52 Cl2 O2 |
| Calculated formula | C37 H52 Cl2 O2 |
| Title of publication | Synthesis and structure of a new bulky bis(alkoxide) ligand on a terphenyl platform |
| Authors of publication | Kurup, Sudheer S.; Nasser, Sandra; Ward, Cassandra L.; Groysman, Stanislav |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 1 |
| Pages of publication | 92 - 96 |
| a | 8.2449 ± 0.0004 Å |
| b | 9.1248 ± 0.0004 Å |
| c | 12.1825 ± 0.0006 Å |
| α | 101.53 ± 0.002° |
| β | 102.729 ± 0.003° |
| γ | 109.2 ± 0.002° |
| Cell volume | 806.53 ± 0.07 Å3 |
| Cell temperature | 100.1 K |
| Ambient diffraction temperature | 100.1 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 | 0.0698 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271617 (current) | 2021-12-24 | cif/ hkl/ Adding structures of 2243964 via cif-deposit CGI script. |
2243964.cif 2243964.hkl |
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