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Information card for entry 7152235
Preview
| Coordinates | 7152235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H148 Ag D12 F6 O16 P |
|---|---|
| Calculated formula | C98 H160 Ag F6 O16 P |
| SMILES | [Ag]1([CH]2=[C]3[C]4=[CH][C](=[C]2OC)[C@H](c2cc([C@H](c5cc6[C@H](c7cc(c(OC)cc7OCCOCCOCCOCCOc5cc6OC)[C@H]4CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)c(OC)cc2OCCOCC[O]1CCOCCO3)CCCCCCCCCCC)[O]=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.[Ag]1([CH]2=[C]3[C]4=[CH][C](=[C]2OC)[C@@H](c2cc([C@@H](c5cc6[C@@H](c7cc(c(OC)cc7OCCOCCOCCOCCOc5cc6OC)[C@@H]4CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)c(OC)cc2OCCOCC[O]1CCOCCO3)CCCCCCCCCCC)[O]=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
| Title of publication | Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films. |
| Authors of publication | Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2012 |
| Journal volume | 10 |
| Journal issue | 10 |
| Pages of publication | 2019 - 2025 |
| a | 12.2817 ± 0.0004 Å |
| b | 60.688 ± 0.002 Å |
| c | 13.4217 ± 0.0004 Å |
| α | 90° |
| β | 97.516 ± 0.002° |
| γ | 90° |
| Cell volume | 9917.9 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1846 |
| Residual factor for significantly intense reflections | 0.0976 |
| Weighted residual factors for significantly intense reflections | 0.2245 |
| Weighted residual factors for all reflections included in the refinement | 0.2794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180308 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/22. |
7152235.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152235.cif |
| 37730 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7152234, 7152235 via cif-deposit CGI script. |
7152235.cif |
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Users of the data should acknowledge the original authors of the
structural data.