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Information card for entry 7246381
Preview
| Coordinates | 7246381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2DMT/o-cresol |
|---|---|
| Chemical name | (R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol |
| Formula | C67 H68 O9 |
| Calculated formula | C67 H68 O9 |
| Title of publication | An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols |
| Authors of publication | Barton, Benita; Pohl, Pieter L.; Hosten, Eric C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 12 |
| Pages of publication | 1731 - 1739 |
| a | 17.3665 ± 0.0008 Å |
| b | 11.9235 ± 0.0006 Å |
| c | 14.1752 ± 0.0007 Å |
| α | 90° |
| β | 109.802 ± 0.002° |
| γ | 90° |
| Cell volume | 2761.7 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282337 (current) | 2023-04-04 | cif/ Updating files of 7246381, 7246382, 7246383 Original log message: Adding full bibliography for 7246381--7246383.cif. |
7246381.cif |
| 281294 | 2023-03-04 | cif/ Adding structures of 7246381, 7246382, 7246383 via cif-deposit CGI script. |
7246381.cif |
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Users of the data should acknowledge the original authors of the
structural data.