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Information card for entry 1515407
Preview
| Coordinates | 1515407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DiEtOArylBisThyPropOate |
|---|---|
| Chemical name | DiEtOArylBisThyPropOate |
| Formula | C30 H38 N4 O10 |
| Calculated formula | C30 H38 N4 O10 |
| SMILES | CCOc1cc(CN2C(=O)C(C)=CN(C2=O)CCC(=O)OC)c(cc1CN1C(=O)C(C)=CN(C1=O)CCC(=O)OC)OCC |
| Title of publication | Topochemical polymerization using bis-thyminyl monomers |
| Authors of publication | Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 14 |
| Pages of publication | 4375 |
| a | 11.598 ± 0.002 Å |
| b | 13.027 ± 0.003 Å |
| c | 13.432 ± 0.003 Å |
| α | 75.17 ± 0.03° |
| β | 72.07 ± 0.03° |
| γ | 69.32 ± 0.03° |
| Cell volume | 1781.5 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1312 |
| Residual factor for significantly intense reflections | 0.0956 |
| Weighted residual factors for significantly intense reflections | 0.2796 |
| Weighted residual factors for all reflections included in the refinement | 0.3108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515407.cif |
| 119534 | 2014-07-07 | cif/ Updating files of 1515405, 1515406, 1515407 Original log message: Adding full bibliography for 1515405--1515407.cif. |
1515407.cif |
| 111686 | 2014-04-25 | cif/ Adding structures of 1515405, 1515406, 1515407 via cif-deposit CGI script. |
1515407.cif |
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Users of the data should acknowledge the original authors of the
structural data.