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Information card for entry 7055664
Preview
| Coordinates | 7055664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | complex between 1-(3-ammoniopropyl)-4-{(E)-2-[4-(methylthio)-phenyl]vinyl}pyridinium diperchlorate and 4-[(E)-2-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)vinyl]-1-ethylpyridiniumperchlorate, benzene and water solvate |
|---|---|
| Formula | C46.2 H61.6 Cl3 N3 O18.7 S |
| Calculated formula | C46.2 H60.2 Cl3 N3 O18.7 S |
| Title of publication | Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes |
| Authors of publication | Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K. |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 9 |
| Pages of publication | 7542 |
| a | 37.878 ± 0.008 Å |
| b | 16.492 ± 0.003 Å |
| c | 35.71 ± 0.007 Å |
| α | 90° |
| β | 106.404 ± 0.003° |
| γ | 90° |
| Cell volume | 21399 ± 7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.3957 |
| Residual factor for significantly intense reflections | 0.1843 |
| Weighted residual factors for significantly intense reflections | 0.4584 |
| Weighted residual factors for all reflections included in the refinement | 0.5145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186459 (current) | 2016-09-10 | cif/ Updating files of 7055662, 7055663, 7055664, 7055665, 7055666 Original log message: Adding full bibliography for 7055662--7055666.cif. |
7055664.cif |
| 183876 | 2016-06-23 | cif/ Adding structures of 7055662, 7055663, 7055664, 7055665, 7055666 via cif-deposit CGI script. |
7055664.cif |
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