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Information card for entry 7206743
Preview
| Coordinates | 7206743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | TTFPhU-THF |
|---|---|
| Formula | C18.96 H15.92 N2 O2.74 S4 |
| Calculated formula | C18.96 H15.92 N2 O2.74 S4 |
| Title of publication | Redox-active tubular frameworks with TTF: self-assemblies by complementary hydrogen-bonds and π-stacks of TTF-phenyluracil |
| Authors of publication | Murata, Tsuyoshi; Maki, Suguru; Ohmoto, Makoto; Miyazaki, Eigo; Umemoto, Yoshikazu; Nakasuji, Kazuhiro; Morita, Yasushi |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 22 |
| Pages of publication | 6880 |
| a | 18.863 ± 0.008 Å |
| b | 5.722 ± 0.003 Å |
| c | 21.51 ± 0.009 Å |
| α | 90° |
| β | 116.96 ± 0.03° |
| γ | 90° |
| Cell volume | 2069.4 ± 1.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1107 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.203 |
| Weighted residual factors for all reflections included in the refinement | 0.2219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206743.cif |
| 295951 | 2024-11-16 | Replaced the '^A\/Y' character sequence with the backslash character ('\') in multiple data values. |
7206743.cif |
| 180398 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/67. |
7206743.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206743.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206743.cif |
| 29998 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206743, 7206744 via cif-deposit CGI script. |
7206743.cif |
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Users of the data should acknowledge the original authors of the
structural data.