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Information card for entry 1560135
Preview
| Coordinates | 1560135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetrasucc |
|---|---|
| Formula | C167 H154 Cl3 F4 N34 O30 |
| Calculated formula | C167 H153.5 Cl3 F4 N34 O30 |
| SMILES | ClC(Cl)Cl.FC(F)(C(F)(F)C(=O)O)C(=O)[O-].O=C(Nc1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1nc(NC(=O)c2nc3nc(NC(=O)c4nc5nc(NC(=O)c6nc(c7nnc(cc7)c7nc(ccc7)C(=O)Nc7nc8nc(C(=O)Nc9nc%10nc(C(=O)Nc%11nc(NC(=O)c%12cc(OCC(C)C)c%13c(n%12)c(NC(=O)c%12nc%14c(NC(=O)c%15nc%16c(N(=O)=O)cccc%16c(OCC(C)C)c%15)cccc%14c(OCC(C)C)c%12)ccc%13)ccc%11)cc(OCC(C)C)c%10cc9)cc(OCC(C)C)c8cc7)ccc6)ccc5c(OCC(C)C)c4)ccc3c(OCC(C)C)c2)ccc1)c1nc2c(c(OCC(C)C)c1)cccc2NC(=O)c1[nH+]c2c(N(=O)=O)cccc2c(OCC(C)C)c1 |
| Title of publication | Sensing a binding event through charge transport variations using an aromatic oligoamide capsule |
| Authors of publication | Mateus, Pedro; Jacquet, Antoine; Méndez-Ardoy, Alejandro; Boulloy, Alice; Kauffmann, Brice; Pecastaings, Gilles; Buffeteau, Thierry; Ferrand, Yann; Bassani, Dario M.; Huc, Ivan |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 3743 - 3750 |
| a | 22.99 ± 0.005 Å |
| b | 45.82 ± 0.009 Å |
| c | 40.8 ± 0.008 Å |
| α | 90° |
| β | 90.92 ± 0.03° |
| γ | 90° |
| Cell volume | 42973 ± 15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.1869 |
| Residual factor for significantly intense reflections | 0.1398 |
| Weighted residual factors for significantly intense reflections | 0.3874 |
| Weighted residual factors for all reflections included in the refinement | 0.4165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.524 |
| Diffraction radiation wavelength | 0.7227 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274567 (current) | 2022-04-19 | cif/1: Fixing some Z values and formulae |
1560135.cif |
| 263667 | 2021-04-05 | cif/ Updating files of 1560135 Original log message: Adding full bibliography for 1560135.cif. |
1560135.cif |
| 261151 | 2021-01-23 | cif/ Adding structures of 1560135 via cif-deposit CGI script. |
1560135.cif |
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