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Information card for entry 4125028
Preview
| Coordinates | 4125028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | TerarylB2O4-1 |
|---|---|
| Formula | C30 H16 B2 O4 |
| Calculated formula | C30 H16 B2 O4 |
| SMILES | c1c2c(ccc1)c1c3B(O2)Oc2ccccc2c3c(c2c1c1ccccc1O1)c3ccccc3OB12 |
| Title of publication | Two-Step Synthesis of Boron-Fused Double Helicenes. |
| Authors of publication | Katayama, Takazumi; Nakatsuka, Soichiro; Hirai, Hiroki; Yasuda, Nobuhiro; Kumar, Jatish; Kawai, Tsuyoshi; Hatakeyama, Takuji |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 16 |
| Pages of publication | 5210 - 5213 |
| a | 8.3686 ± 0.0004 Å |
| b | 25.6303 ± 0.0012 Å |
| c | 9.8925 ± 0.0004 Å |
| α | 90° |
| β | 90.036 ± 0.003° |
| γ | 90° |
| Cell volume | 2121.84 ± 0.17 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.78202 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182500 (current) | 2016-05-04 | cif/ Updating files of 4125028 Original log message: Adding full bibliography for 4125028.cif. |
4125028.cif |
| 182113 | 2016-04-15 | cif/ Adding structures of 4125028 via cif-deposit CGI script. |
4125028.cif |
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Users of the data should acknowledge the original authors of the
structural data.