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Information card for entry 4028642
Preview
Coordinates | 4028642.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H41 Cl2 Li N2 O14 |
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Calculated formula | C30 H41 Cl2 Li N2 O14 |
SMILES | [Li]12345([OH2])[O]6c7cc(/C=C/c8[n+](c9c(cc8)cccc9)CC)ccc7[N]5(CC[O]4CC[O]3CC[O]2CC[O]1CC6)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes |
Authors of publication | Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 9834 - 9847 |
a | 7.091 ± 0.0009 Å |
b | 14.0438 ± 0.0015 Å |
c | 17.133 ± 0.002 Å |
α | 98.366 ± 0.01° |
β | 93.94 ± 0.007° |
γ | 94.9 ± 0.006° |
Cell volume | 1676.2 ± 0.3 Å3 |
Cell temperature | 120 ± 0.2 K |
Ambient diffraction temperature | 120 ± 0.2 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 | 0.1819 |
Residual factor for significantly intense reflections | 0.1717 |
Weighted residual factors for significantly intense reflections | 0.4619 |
Weighted residual factors for all reflections included in the refinement | 0.4658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
Diffraction radiation wavelength | 1.54178 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/4028642.html
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Users of the data should acknowledge the original authors of the
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