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Information card for entry 7116291
Preview
| Coordinates | 7116291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C6_Nt$n_Form A |
|---|---|
| Formula | C32 H32 N2 O4 S4 |
| Calculated formula | C32 H32 N2 O4 S4 |
| SMILES | C(CCC)CCN1C(=O)c2c(sc(c3ccc(c4ccc(c5cc6c(s5)C(=O)N(C6=O)CCCCCC)s4)s3)c2)C1=O |
| Title of publication | Chemical design enables the control of conformational polymorphism in functional 2,3-thieno(bis)imide-ended materials. |
| Authors of publication | Maini, Lucia; Gallino, Federico; Zambianchi, Massimo; Durso, Margherita; Gazzano, Massimo; Rubini, Katia; Gentili, Denis; Manet, Ilse; Muccini, Michele; Toffanin, Stefano; Cavallini, Massimiliano; Melucci, Manuela |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 11 |
| Pages of publication | 2033 - 2035 |
| a | 4.6152 ± 0.0007 Å |
| b | 11.558 ± 0.001 Å |
| c | 14.422 ± 0.002 Å |
| α | 80.38 ± 0.01° |
| β | 88.11 ± 0.01° |
| γ | 86.45 ± 0.01° |
| Cell volume | 756.83 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1723 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.161 |
| Weighted residual factors for all reflections included in the refinement | 0.2032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180276 (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 7/11/62. |
7116291.cif |
| 130935 | 2015-02-04 | cif/ Updating files of 7116291, 7116292, 7116293, 7116294 Original log message: Adding full bibliography for 7116291--7116294.cif. |
7116291.cif |
| 129372 | 2015-01-06 | cif/ Adding structures of 7116291, 7116292, 7116293, 7116294 via cif-deposit CGI script. |
7116291.cif |
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