Information card for entry 4030236
| Formula |
C29 H38 Cl2 N2 O14 |
| Calculated formula |
C29 H38 Cl2 N2 O14 |
| SMILES |
Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O1c2ccc(/C=C/c3cc[n+](c4c3cccc4)CC[NH3+])cc2OCCOCCOCCOCCOCC1 |
| Title of publication |
Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes. |
| Authors of publication |
Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K. |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2014 |
| Journal volume |
79 |
| Journal issue |
23 |
| Pages of publication |
11416 - 11430 |
| a |
11.425 ± 0.003 Å |
| b |
11.981 ± 0.003 Å |
| c |
12.65 ± 0.003 Å |
| α |
101.734 ± 0.011° |
| β |
99.896 ± 0.012° |
| γ |
109.094 ± 0.011° |
| Cell volume |
1548 ± 0.7 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.2691 |
| Residual factor for significantly intense reflections |
0.1233 |
| Weighted residual factors for significantly intense reflections |
0.2798 |
| Weighted residual factors for all reflections included in the refinement |
0.3272 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.925 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4030236.html
