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Information card for entry 7055666
Preview
| Coordinates | 7055666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(3-ammoniopropyl)-4-r-[2-c-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-3-t-(1-ethylpyridinium-4-yl)-4-t-(4-methoxyphenyl)cyclobutyl]pyridinium triperchlorate, benzene and acetonitrile and water solvate |
|---|---|
| Formula | C55.5 H70.75 Cl3 N3.75 O19.25 |
| Calculated formula | C55.5 H70.25 Cl3 N3.75 O19.25 |
| 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 | 14.0228 ± 0.0009 Å |
| b | 18.0075 ± 0.0011 Å |
| c | 22.8626 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5773.2 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.2217 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
| 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. |
7055666.cif |
| 183876 | 2016-06-23 | cif/ Adding structures of 7055662, 7055663, 7055664, 7055665, 7055666 via cif-deposit CGI script. |
7055666.cif |
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