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Information card for entry 7116008
Preview
Coordinates | 7116008.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 I N2 |
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Calculated formula | C19 H21 I N2 |
SMILES | [I-].N1(C=[N+]2C(C1)Cc1ccccc21)c1c(cc(cc1C)C)C |
Title of publication | Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines |
Authors of publication | Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 15052 |
a | 8.668 ± 0.003 Å |
b | 10.397 ± 0.003 Å |
c | 10.757 ± 0.003 Å |
α | 108.642 ± 0.004° |
β | 99.276 ± 0.004° |
γ | 101.841 ± 0.005° |
Cell volume | 871.7 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0431 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.1143 |
Weighted residual factors for all reflections included in the refinement | 0.1341 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
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/7116008.html
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Users of the data should acknowledge the original authors of the
structural data.