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Information card for entry 7246366
Preview
| Coordinates | 7246366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol |
|---|---|
| Formula | C102 H89 N3 O4 |
| Calculated formula | C102 H89 N3 O4 |
| 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 | 22.263 ± 0.002 Å |
| b | 9.8738 ± 0.0009 Å |
| c | 35.777 ± 0.004 Å |
| α | 90° |
| β | 93.222 ± 0.006° |
| γ | 90° |
| Cell volume | 7852.1 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0839 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
7246366.cif |
| 281291 | 2023-03-04 | cif/ Adding structures of 7246364, 7246365, 7246366, 7246367, 7246368, 7246369, 7246370, 7246371 via cif-deposit CGI script. |
7246366.cif |
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Users of the data should acknowledge the original authors of the
structural data.