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Information card for entry 4026527
Preview
Coordinates | 4026527.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 Cl2 N2 O8 |
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Calculated formula | C18 H18 Cl2 N2 O8 |
SMILES | c1[n+](cc2c3c1ccc1c3c(c[n+](c1)CC)cc2)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene |
Authors of publication | Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 6768 - 6779 |
a | 5.8449 ± 0.0013 Å |
b | 13.893 ± 0.003 Å |
c | 11.655 ± 0.003 Å |
α | 90° |
β | 94.21 ± 0.004° |
γ | 90° |
Cell volume | 943.9 ± 0.4 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 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 | 0.0787 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1813 |
Weighted residual factors for all reflections included in the refinement | 0.2269 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4026527.html
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structural data.