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Information card for entry 7108232
Preview
Coordinates | 7108232.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H48 I3 N3 |
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Calculated formula | C36 H48 I3 N3 |
SMILES | [I-].[I-].[I-].c1(c(c(c(c(c1C[NH+](c1ccccc1)C)CC)C[NH+](c1ccccc1)C)CC)C[NH+](c1ccccc1)C)CC |
Title of publication | Selective encapsulation of volatile and reactive methyl iodide |
Authors of publication | Yih-Chern Horng; Pin-Shen Huang; Chang-Chih Hsieh; Chih-Hong Kuo; Ting-Shen Kuo |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 8844 |
a | 10.014 ± 0.007 Å |
b | 10.358 ± 0.008 Å |
c | 18.774 ± 0.012 Å |
α | 86.51 ± 0.03° |
β | 88.14 ± 0.03° |
γ | 81.26 ± 0.03° |
Cell volume | 1921 ± 2 Å3 |
Cell temperature | 148 ± 2 K |
Ambient diffraction temperature | 148 ± 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 | 0.2652 |
Residual factor for significantly intense reflections | 0.0639 |
Weighted residual factors for significantly intense reflections | 0.1489 |
Weighted residual factors for all reflections included in the refinement | 0.21 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
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/7108232.html
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structural data.