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Information card for entry 7246368
Preview
| Coordinates | 7246368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol |
|---|---|
| Formula | C48 H37 Cl4 N O2 |
| Calculated formula | C48 H37 Cl4 N O2 |
| Title of publication | Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines |
| Authors of publication | Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 12 |
| Pages of publication | 1740 - 1754 |
| a | 15.7544 ± 0.0007 Å |
| b | 25.0313 ± 0.0011 Å |
| c | 40.1189 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15821 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0971 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1615 |
| Weighted residual factors for all reflections included in the refinement | 0.1968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282334 (current) | 2023-04-04 | cif/ Updating files of 7246364, 7246365, 7246366, 7246367, 7246368, 7246369, 7246370, 7246371 Original log message: Adding full bibliography for 7246364--7246371.cif. |
7246368.cif |
| 281291 | 2023-03-04 | cif/ Adding structures of 7246364, 7246365, 7246366, 7246367, 7246368, 7246369, 7246370, 7246371 via cif-deposit CGI script. |
7246368.cif |
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Users of the data should acknowledge the original authors of the
structural data.