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Information card for entry 4130073
Preview
Coordinates | 4130073.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H58 B D3 N4 P |
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Calculated formula | C34 H58 B N4 P |
SMILES | [P+](N1CCCC1)(NC(C)(C)C)(N1CCCC1)N1CCCC1.c1(c(cc(cc1C)C)C)[BH2]c1c(cc(cc1C)C)C |
Title of publication | "Inverse" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids. |
Authors of publication | Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 10 |
Pages of publication | 3286 - 3289 |
a | 9.063 ± 0.006 Å |
b | 12.103 ± 0.008 Å |
c | 18.177 ± 0.011 Å |
α | 101.964 ± 0.008° |
β | 92.065 ± 0.007° |
γ | 108.926 ± 0.006° |
Cell volume | 1834 ± 2 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0845 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1475 |
Weighted residual factors for all reflections included in the refinement | 0.165 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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