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Information card for entry 1547139
Preview
| Coordinates | 1547139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H54 B2 N4 |
|---|---|
| Calculated formula | C50 H54 B2 N4 |
| SMILES | N1(c2c(C)cc(C)cc2C)C2=C(N(c3c(C)cc(C)cc3C)B1c1ccccc1)N(c1c(C)cc(C)cc1C)B(N2c1c(C)cc(C)cc1C)c1ccccc1 |
| Title of publication | Crystalline Boron-linked Tetraaminoethylene Radical Cations |
| Authors of publication | Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 15.662 ± 0.003 Å |
| b | 17.724 ± 0.003 Å |
| c | 16.037 ± 0.003 Å |
| α | 90° |
| β | 109.914 ± 0.005° |
| γ | 90° |
| Cell volume | 4185.6 ± 1.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1922 |
| Residual factor for significantly intense reflections | 0.0782 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200809 (current) | 2017-09-13 | cif/ Adding structures of 1547136, 1547137, 1547138, 1547139, 1547140, 1547141, 1547142 via cif-deposit CGI script. |
1547139.cif |
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Users of the data should acknowledge the original authors of the
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