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Information card for entry 7052592
Preview
| Coordinates | 7052592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H40 Cl2 Na2 O18 |
|---|---|
| Calculated formula | C30 H40 Cl2 Na2 O18 |
| SMILES | [Na]12345(OCl(=[O]1)(=O)=O)[O]1CC[O]3CC[O]4CC[O]5CC[O]2c2ccc(cc12)/C=C/c1ccc2[O]3[Na]4567(OCl(=[O]4)(=O)=O)[O](CC3)CC[O]6CC[O]7CC[O]5c2c1 |
| 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 | 26.083 ± 0.002 Å |
| b | 9.2443 ± 0.0009 Å |
| c | 15.815 ± 0.0013 Å |
| α | 90° |
| β | 96.659 ± 0.005° |
| γ | 90° |
| Cell volume | 3787.6 ± 0.6 Å3 |
| Cell temperature | 120 ± 0.2 K |
| Ambient diffraction temperature | 120 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.4133 |
| Residual factor for significantly intense reflections | 0.2426 |
| Weighted residual factors for significantly intense reflections | 0.3541 |
| Weighted residual factors for all reflections included in the refinement | 0.4098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7052592.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052592.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052592.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. |
7052592.cif |
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