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Information card for entry 1544164
Preview
Coordinates | 1544164.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H38 B N3 O |
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Calculated formula | C32 H38 B N3 O |
SMILES | O[C@H]([C@@H](N(Cc1ccccc1)Cc1ccccc1)B1Nc2c3c(N1)cccc3ccc2)CCCCCC.O[C@@H]([C@H](N(Cc1ccccc1)Cc1ccccc1)B1Nc2c3c(N1)cccc3ccc2)CCCCCC |
Title of publication | Copper-Catalyzed Regio- and Stereoselective Aminoboration of Alkenylboronates. |
Authors of publication | Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 19 |
Pages of publication | 4856 - 4859 |
a | 17.022 ± 0.018 Å |
b | 8.362 ± 0.009 Å |
c | 19.77 ± 0.02 Å |
α | 90° |
β | 95.585 ± 0.011° |
γ | 90° |
Cell volume | 2801 ± 5 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.2839 |
Residual factor for significantly intense reflections | 0.0858 |
Weighted residual factors for significantly intense reflections | 0.1269 |
Weighted residual factors for all reflections included in the refinement | 0.1941 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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