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Information card for entry 7116010
Preview
Coordinates | 7116010.cif |
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Original paper (by DOI) | HTML |
Formula | C33.5 H35 Cl I N2 O0.5 |
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Calculated formula | C33.5 H35 Cl I N2 O0.5 |
SMILES | [I-].[N+]1(=C(N2C(C1)CC(C2)(c1ccccc1)c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C.C(Cl)Cl.O |
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 | 13.894 ± 0.007 Å |
b | 15.126 ± 0.007 Å |
c | 17.283 ± 0.008 Å |
α | 108.209 ± 0.005° |
β | 97.011 ± 0.006° |
γ | 114.943 ± 0.005° |
Cell volume | 2990 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0594 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1228 |
Weighted residual factors for all reflections included in the refinement | 0.1305 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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