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Information card for entry 4131740
Preview
Coordinates | 4131740.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H46 Cl2 Co N4 |
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Calculated formula | C38 H46 Cl2 Co N4 |
SMILES | [Co]12(Cl)(Cl)[N](=C(c3[n]1c(ccc3)C1=[N]2[C@H](CN1c1ccccc1)C(C)C)C)c1c(cccc1C(C)C)C(C)C.c1ccccc1C |
Title of publication | Cobalt-Catalyzed Asymmetric Sequential Hydroboration/Hydrogenation of Internal Alkynes. |
Authors of publication | Guo, Jun; Cheng, Biao; Shen, Xuzhong; Lu, Zhan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 43 |
Pages of publication | 15316 - 15319 |
a | 10.5943 ± 0.0005 Å |
b | 16.009 ± 0.0006 Å |
c | 21.0879 ± 0.0011 Å |
α | 90° |
β | 90.706 ± 0.004° |
γ | 90° |
Cell volume | 3576.3 ± 0.3 Å3 |
Cell temperature | 183.1 K |
Ambient diffraction temperature | 183.1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0943 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.0808 |
Weighted residual factors for all reflections included in the refinement | 0.0972 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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