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Information card for entry 1565973
Preview
| Coordinates | 1565973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H26 B N |
|---|---|
| Calculated formula | C33 H26 B N |
| Title of publication | Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties |
| Authors of publication | Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 4 |
| Pages of publication | 1136 - 1145 |
| a | 6.6409 ± 0.0002 Å |
| b | 12.0504 ± 0.0004 Å |
| c | 15.9138 ± 0.0006 Å |
| α | 78.061 ± 0.003° |
| β | 78.902 ± 0.003° |
| γ | 79.901 ± 0.003° |
| Cell volume | 1210.42 ± 0.07 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 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 | 0.0683 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1596 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272580 (current) | 2022-02-04 | cif/ Updating files of 1565972, 1565973, 1565974 Original log message: Adding full bibliography for 1565972--1565974.cif. |
1565973.cif |
| 272011 | 2022-01-13 | cif/ Adding structures of 1565972, 1565973, 1565974 via cif-deposit CGI script. |
1565973.cif |
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Users of the data should acknowledge the original authors of the
structural data.