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Information card for entry 7052595
Preview
| Coordinates | 7052595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H116 Ca2 Cl4 O45 |
|---|---|
| Calculated formula | C78 H98 Ca2 Cl4 O45 |
| Title of publication | Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition |
| Authors of publication | Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 3 |
| Pages of publication | 724 |
| a | 14.4368 ± 0.0008 Å |
| b | 17.929 ± 0.0011 Å |
| c | 18.917 ± 0.0011 Å |
| α | 78.74 ± 0.003° |
| β | 84.002 ± 0.003° |
| γ | 87.88 ± 0.003° |
| Cell volume | 4775.2 ± 0.5 Å3 |
| Cell temperature | 120 ± 0.2 K |
| Ambient diffraction temperature | 120 ± 0.2 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 | 0.378 |
| Residual factor for significantly intense reflections | 0.1145 |
| Weighted residual factors for significantly intense reflections | 0.232 |
| Weighted residual factors for all reflections included in the refinement | 0.2961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180079 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25. |
7052595.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052595.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052595.cif |
| 14962 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052590, 7052591, 7052592, 7052593, 7052594, 7052595, 7052596 via cif-deposit CGI script. |
7052595.cif |
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Users of the data should acknowledge the original authors of the
structural data.