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Information card for entry 7116385
Preview
| Coordinates | 7116385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C126 H108 Eu2 N18 O12 |
|---|---|
| Calculated formula | C126 H108 Eu2 N18 O12 |
| SMILES | [Eu]12345678[O]=C(N[C@@H](C)c9ccccc9)c9[n]2c(ccc9)C(=[O]1)Nc1ccc(cc1)c1ccc(NC2=[O][Eu]9%10%11%12%13([O]=C(N[C@@H](C)c%14ccccc%14)c%14[n]9c2ccc%14)([O]=C(Nc2ccc(c9ccc(NC(=[O]6)c6[n]7c(C(=[O]5)N[C@@H](C)c5ccccc5)ccc6)cc9)cc2)c2[n]%12c(ccc2)C(=[O]%10)N[C@@H](C)c2ccccc2)[O]=C(Nc2ccc(c5ccc(NC(=[O]3)c3[n]4c(C(=[O]8)N[C@@H](C)c4ccccc4)ccc3)cc5)cc2)c2[n]%11c(ccc2)C(=[O]%13)N[C@@H](C)c2ccccc2)cc1 |
| Title of publication | Lanthanide supramolecular helical diastereoselective breaking induced by point chirality: mixture or P-helix, M-helix |
| Authors of publication | Chi-Tung Yeung; Wesley Ting Kwok Chan; Siu-Cheong Yan; Kwan-Leung Yu; King-Him Yim; Wing-Tak Wong; Ga-Lai Law |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 592 |
| a | 26.0606 ± 0.001 Å |
| b | 28.4219 ± 0.0009 Å |
| c | 23.3299 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 17280.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.1073 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180277 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/63. |
7116385.cif |
| 129623 | 2015-01-14 | cif/ Adding structures of 7116385, 7116386, 7116387 via cif-deposit CGI script. |
7116385.cif |
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Users of the data should acknowledge the original authors of the
structural data.