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Information card for entry 4132503
Preview
| Coordinates | 4132503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H26 F12 O2 |
|---|---|
| Calculated formula | C45 H26 F12 O2 |
| Title of publication | Helically Locked Tethered Twistacenes. |
| Authors of publication | Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 26 |
| Pages of publication | 8086 - 8090 |
| a | 8.9854 ± 0.0011 Å |
| b | 13.222 ± 0.0016 Å |
| c | 16.513 ± 0.002 Å |
| α | 68.563 ± 0.002° |
| β | 79.735 ± 0.002° |
| γ | 87.455 ± 0.002° |
| Cell volume | 1796.4 ± 0.4 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 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 | 0.0555 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242477 (current) | 2019-11-26 | cif/ Adding structures of 4132503 via cif-deposit CGI script. |
4132503.cif |
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Users of the data should acknowledge the original authors of the
structural data.