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Information card for entry 7229851
Preview
| Coordinates | 7229851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H25 B O2 |
|---|---|
| Calculated formula | C28 H25 B O2 |
| SMILES | B1(c2ccc3c4c5c6ccccc6ccc5ccc4ccc3c2)OC(C(C)(C)O1)(C)C |
| Title of publication | Direct regioselective C‒H borylation of [5]helicene |
| Authors of publication | Kaiser, R. P.; Ulč, J.; Císařová, I.; Nečas, D. |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 580 |
| a | 8.0397 ± 0.0005 Å |
| b | 9.627 ± 0.0006 Å |
| c | 14.3024 ± 0.0008 Å |
| α | 81.219 ± 0.002° |
| β | 79.289 ± 0.002° |
| γ | 86.038 ± 0.002° |
| Cell volume | 1074 ± 0.11 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204683 (current) | 2018-01-03 | cif/ Adding structures of 7229851 via cif-deposit CGI script. |
7229851.cif |
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Users of the data should acknowledge the original authors of the
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