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Information card for entry 7041652
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Coordinates | 7041652.cif |
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Original paper (by DOI) | HTML |
Chemical name | trichloro(2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)phenyl)borate |
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Formula | C15 H23 B Cl3 N |
Calculated formula | C15 H23 B Cl3 N |
SMILES | [B](Cl)(Cl)(Cl)c1ccccc1[NH+]1C(CCCC1(C)C)(C)C |
Title of publication | Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations. |
Authors of publication | Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 7 |
Pages of publication | 2263 - 2269 |
a | 7.867 ± 0.001 Å |
b | 15.592 ± 0.002 Å |
c | 14.279 ± 0.002 Å |
α | 90° |
β | 104.89 ± 0.02° |
γ | 90° |
Cell volume | 1692.7 ± 0.4 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0842 |
Weighted residual factors for all reflections included in the refinement | 0.0857 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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