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Information card for entry 1549082
Preview
Coordinates | 1549082.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H85 B2 Li O4 |
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Calculated formula | C56 H85 B2 Li O4 |
SMILES | c12c(ccc(c1)C(C)(C)C)c1c(cc(cc1)C(C)(C)C)[B]1(c3c(ccc(c3)C(C)(C)C)c3c1cc(cc3)C(C)(C)C)[H][BH2]2.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O](CC)CC |
Title of publication | A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. |
Authors of publication | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 15 |
Pages of publication | 3881 - 3891 |
a | 10.7242 ± 0.0012 Å |
b | 21.4641 ± 0.0016 Å |
c | 24.027 ± 0.003 Å |
α | 90° |
β | 97.208 ± 0.009° |
γ | 90° |
Cell volume | 5487 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.2251 |
Residual factor for significantly intense reflections | 0.1344 |
Weighted residual factors for significantly intense reflections | 0.2573 |
Weighted residual factors for all reflections included in the refinement | 0.2877 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.443 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
228816 (current) | 2019-11-17 | cif/ Updating files of 1549081, 1549082, 1549083, 1549084, 1549085, 1549086, 1549087, 1549088, 1549089 Original log message: Adding full bibliography for 1549081--1549089.cif. |
1549082.cif |
207020 | 2018-03-20 | cif/ Adding structures of 1549081, 1549082, 1549083, 1549084, 1549085, 1549086, 1549087, 1549088, 1549089 via cif-deposit CGI script. |
1549082.cif |
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Users of the data should acknowledge the original authors of the
structural data.