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Information card for entry 1542548
Preview
| Coordinates | 1542548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | direduced monoprotonated Methylbiquinoxen cation tetrafluoroborate; [MBqn0-H+]BF4 |
|---|---|
| Chemical name | 4,4?-dimethyl-1?,4?-dihydro-[2,2?-biquinoxalin]-4-ium tetrafluoroborate |
| Formula | C18 H17 B F4 N4 |
| Calculated formula | C18 H17 B F4 N4 |
| SMILES | C[n+]1c2ccccc2nc(c1)C1=CN(C)c2ccccc2N1.[B](F)(F)(F)[F-] |
| Title of publication | A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform |
| Authors of publication | Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | 3820 |
| a | 7.133 ± 0.0009 Å |
| b | 20.036 ± 0.0016 Å |
| c | 11.526 ± 0.0013 Å |
| α | 90° |
| β | 99.454 ± 0.009° |
| γ | 90° |
| Cell volume | 1624.9 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0709 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185134 (current) | 2016-08-07 | cif/ Updating files of 1542547, 1542548, 1542549 Original log message: Adding full bibliography for 1542547--1542549.cif. |
1542548.cif |
| 176895 | 2016-02-25 | cif/ Adding structures of 1542547, 1542548, 1542549 via cif-deposit CGI script. |
1542548.cif |
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Users of the data should acknowledge the original authors of the
structural data.