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Information card for entry 4131791
Preview
| Coordinates | 4131791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C195.55 H195.55 Cl10.66 O20 |
|---|---|
| Calculated formula | C195.553 H195.553 Cl10.659 O20 |
| Title of publication | Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior. |
| Authors of publication | Kiel, Gavin R.; Patel, Sajan C.; Smith, Patrick W.; Levine, Daniel S.; Tilley, T. Don |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 51 |
| Pages of publication | 18456 - 18459 |
| a | 23.2934 ± 0.0008 Å |
| b | 19.8397 ± 0.0008 Å |
| c | 37.1735 ± 0.0013 Å |
| α | 90° |
| β | 100.129 ± 0.002° |
| γ | 90° |
| Cell volume | 16911.4 ± 1.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.122 |
| Residual factor for significantly intense reflections | 0.0979 |
| Weighted residual factors for significantly intense reflections | 0.2286 |
| Weighted residual factors for all reflections included in the refinement | 0.2418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.7749 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241943 (current) | 2019-11-25 | cif/ Adding structures of 4131791 via cif-deposit CGI script. |
4131791.cif |
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Users of the data should acknowledge the original authors of the
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