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Information card for entry 7116386
Preview
| Coordinates | 7116386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C138 H90 Eu2 F18 N18 O18 S6 |
|---|---|
| Calculated formula | C132 H91 Eu2 N18 O12 |
| SMILES | [Eu]12345678[O]=C(NCC(C)c9ccccc9)c9[n]2c(ccc9)C(O1)=Nc1ccc(cc1)c1ccc(cc1)N=C1O[Eu]29%10%11%12([O]=C(NCC(C)c%13ccccc%13)c%13[n]2c1ccc%13)(OC(=Nc1ccc(cc1)c1ccc(cc1)N=C(O4)c1[n]5c(ccc1)C(NCC(C)c1ccccc1)=[O]3)c1[n]9c(ccc1)C(=[O]%10)NCC(C)c1ccccc1)OC(=Nc1ccc(cc1)c1ccc(cc1)N=C(O6)c1[n]7c(ccc1)C(NCC(C)c1ccccc1)=[O]8)c1[n]%11c(ccc1)C(NCC(C)c1ccccc1)=[O]%12 |
| 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 | 16.679 ± 0.0005 Å |
| b | 20.3099 ± 0.0006 Å |
| c | 24.4218 ± 0.0008 Å |
| α | 87.025 ± 0.002° |
| β | 70.961 ± 0.002° |
| γ | 89.269 ± 0.002° |
| Cell volume | 7809.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1465 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.1982 |
| Weighted residual factors for all reflections included in the refinement | 0.2205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| 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. |
7116386.cif |
| 129623 | 2015-01-14 | cif/ Adding structures of 7116385, 7116386, 7116387 via cif-deposit CGI script. |
7116386.cif |
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Users of the data should acknowledge the original authors of the
structural data.