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Information card for entry 4036316
Preview
| Coordinates | 4036316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4e in manuscript |
|---|---|
| Formula | C76 H64 Cl24 O12 |
| Calculated formula | C76 H64 Cl24 O12 |
| Title of publication | Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction. |
| Authors of publication | Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 18 |
| Pages of publication | 9342 - 9348 |
| a | 17.898 ± 0.002 Å |
| b | 25.162 ± 0.003 Å |
| c | 20.571 ± 0.003 Å |
| α | 90° |
| β | 107.287 ± 0.002° |
| γ | 90° |
| Cell volume | 8845.7 ± 1.9 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.1466 |
| Residual factor for significantly intense reflections | 0.0843 |
| Weighted residual factors for significantly intense reflections | 0.1994 |
| Weighted residual factors for all reflections included in the refinement | 0.2368 |
| 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 |
|---|---|---|---|
| 234534 (current) | 2019-11-23 | cif/ Adding structures of 4036314, 4036315, 4036316 via cif-deposit CGI script. |
4036316.cif |
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Users of the data should acknowledge the original authors of the
structural data.