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Information card for entry 4032491
Preview
Coordinates | 4032491.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H23 I5 N4 |
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Calculated formula | C22 H23 I5 N4 |
SMILES | [nH+]1ccc(c2cc[n+](cc2)C)cc1.n1ccc(cc1)c1cc[n+](cc1)C.I[I-]I.[I-].[I-] |
Title of publication | Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides. |
Authors of publication | Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 10 |
Pages of publication | 5198 - 5203 |
a | 9.8611 ± 0.0003 Å |
b | 21.0117 ± 0.0008 Å |
c | 22.6116 ± 0.001 Å |
α | 68.296 ± 0.004° |
β | 78.859 ± 0.003° |
γ | 84.254 ± 0.003° |
Cell volume | 4268.8 ± 0.3 Å3 |
Cell temperature | 123.01 ± 0.1 K |
Ambient diffraction temperature | 123.01 ± 0.1 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 | 0.0878 |
Residual factor for significantly intense reflections | 0.0562 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1271 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4032491.html
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Users of the data should acknowledge the original authors of the
structural data.