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Information card for entry 7132782
Preview
| Coordinates | 7132782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | axially-fluoro-substituted azabora[6]helicene |
|---|---|
| Formula | C27 H15 B F N5 |
| Calculated formula | C27 H15 B F N5 |
| SMILES | F[B]12N3C(=Nc4[n]2c(N=C2N1c1c5c2cccc5ccc1)ccc4)c1c2c3cccc2ccc1 |
| Title of publication | One-pot synthesis of azabora[6]helicene by a Schiff base forming reaction. |
| Authors of publication | Kage, Yuto; Jiang, Yuchuan; Minakuchi, Namiki; Mori, Shigeki; Shimizu, Soji |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 26 |
| Pages of publication | 3543 - 3546 |
| a | 8.0536 ± 0.0005 Å |
| b | 8.9238 ± 0.0005 Å |
| c | 15.0934 ± 0.0009 Å |
| α | 79.306 ± 0.005° |
| β | 85.035 ± 0.005° |
| γ | 65.599 ± 0.005° |
| Cell volume | 970.63 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291532 (current) | 2024-05-05 | cif/ Updating files of 7132782, 7132783 Original log message: Adding full bibliography for 7132782--7132783.cif. |
7132782.cif |
| 290034 | 2024-03-03 | cif/ Adding structures of 7132782, 7132783 via cif-deposit CGI script. |
7132782.cif |
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Users of the data should acknowledge the original authors of the
structural data.