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Information card for entry 1514270
Preview
Coordinates | 1514270.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H30 N2 O2 S |
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Calculated formula | C34 H30 N2 O2 S |
SMILES | S(=O)(=O)(N[C@@H]([C@@H](N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N[C@H]([C@H](N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C |
Title of publication | Aminative umpolung synthesis of aryl vicinal diamines from aromatic aldehydes. |
Authors of publication | Liu, Xuliang; Gao, Ang; Ding, Lei; Xu, Juan; Zhao, Baoguo |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 8 |
Pages of publication | 2118 - 2121 |
a | 12.504 ± 0.002 Å |
b | 17.249 ± 0.003 Å |
c | 26.231 ± 0.004 Å |
α | 90° |
β | 95.167 ± 0.004° |
γ | 90° |
Cell volume | 5634.6 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1331 |
Residual factor for significantly intense reflections | 0.0895 |
Weighted residual factors for significantly intense reflections | 0.2293 |
Weighted residual factors for all reflections included in the refinement | 0.2732 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1514270.html
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Users of the data should acknowledge the original authors of the
structural data.