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Information card for entry 7225240
Preview
| Coordinates | 7225240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H30 Cl2 O8 |
|---|---|
| Calculated formula | C33 H30 Cl2 O8 |
| Title of publication | Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters |
| Authors of publication | Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 24 |
| Pages of publication | 4513 |
| a | 7.488 ± 0.0015 Å |
| b | 13.035 ± 0.003 Å |
| c | 15.569 ± 0.003 Å |
| α | 105.68 ± 0.03° |
| β | 101.8 ± 0.03° |
| γ | 90.67 ± 0.03° |
| Cell volume | 1428.5 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1346 |
| Weighted residual factors for all reflections included in the refinement | 0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185222 (current) | 2016-08-07 | cif/ Updating files of 7225240, 7225241, 7225242, 7225243 Original log message: Adding full bibliography for 7225240--7225243.cif. |
7225240.cif |
| 182956 | 2016-05-14 | cif/ Adding structures of 7225240, 7225241, 7225242, 7225243 via cif-deposit CGI script. |
7225240.cif |
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Users of the data should acknowledge the original authors of the
structural data.