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Information card for entry 1543774
Preview
| Coordinates | 1543774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H12 F20 O8 |
|---|---|
| Calculated formula | C40 H12 F20 O8 |
| SMILES | Fc1c(F)c(F)c(F)c(F)c1COC(=O)C(=C1C=CC(C=C1)=C(C(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(=O)OCc1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Formation of Bundle Assemblies of Stereoregular Polymers in Thermal Solid-State Polymerization of 7,7,8,8-Tetrakis(aryloxycarbonyl)-p-quinodimethanes |
| Authors of publication | Itoh, Takahito; Morita, Erica; Takakura, Ryohei; Nakajima, Hiroto; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji |
| Journal of publication | Macromolecules |
| Year of publication | 2016 |
| Journal volume | 49 |
| Journal issue | 13 |
| Pages of publication | 4802 |
| a | 34.9876 ± 0.0009 Å |
| b | 5.52913 ± 0.00013 Å |
| c | 18.7802 ± 0.0004 Å |
| α | 90° |
| β | 96.1833 ± 0.0014° |
| γ | 90° |
| Cell volume | 3611.91 ± 0.15 Å3 |
| Cell temperature | 93.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.1967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184847 (current) | 2016-08-05 | cif/ Adding structures of 1543774 via cif-deposit CGI script. |
1543774.cif |
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Users of the data should acknowledge the original authors of the
structural data.