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Information card for entry 4089174
Preview
| Coordinates | 4089174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 B Cl N |
|---|---|
| Calculated formula | C20 H15 B Cl N |
| SMILES | B1(Nc2c(cccc2)C(=C1c1ccccc1)Cl)c1ccccc1 |
| Title of publication | Efficient Modular Synthesis of Substituted Borazaronaphthalene |
| Authors of publication | Zhuang, Fang-Dong; Han, Ji-Min; Tang, Sheng; Yang, Jing-Hui; Chen, Qi-Ran; Wang, Jie-Yu; Pei, Jian |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 36 |
| Journal issue | 14 |
| Pages of publication | 2479 |
| a | 22.6181 ± 0.0019 Å |
| b | 5.9841 ± 0.0005 Å |
| c | 23.677 ± 0.0017 Å |
| α | 90° |
| β | 95.416 ± 0.007° |
| γ | 90° |
| Cell volume | 3190.4 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1187 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238017 (current) | 2019-11-24 | cif/ Adding structures of 4089174 via cif-deposit CGI script. |
4089174.cif |
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