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Information card for entry 7216985
Preview
| Coordinates | 7216985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 9-(5-nitrofuran-2-ylidene)-2,4,5,7-tetranitrofluorene : 3,4-dimethyltetrathiafulvalene : acetonitrile (2:2:1) |
|---|---|
| Formula | C27 H16.5 N5.5 O11 S4 |
| Calculated formula | C27 H15 N5.5 O11 S4 |
| Title of publication | Electron acceptors of the fluorene series. Part 13. 9-(5-Nitrofuran-2-ylidene)- and 9-(5-nitro-2-thienylidene)-2,4,5,7-tetranitrofluorenes: novel π-extended electron acceptors. Synthesis, cyclic voltammetry and X-ray crystal structures for the acceptor and its 4,5-dimethyltetrathiafulvalene complex, and a theoretical study† |
| Authors of publication | Perepichka, Igor F.; Perepichka, Dmitrii F.; Lyubchik, Svetlana B.; Bryce, Martin R.; Batsanov, Andrei S.; Howard, Judith A. K. |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
| Year of publication | 2001 |
| Journal issue | 9 |
| Pages of publication | 1546 |
| a | 16.872 ± 0.003 Å |
| b | 7.755 ± 0.001 Å |
| c | 23.201 ± 0.006 Å |
| α | 90° |
| β | 103.99 ± 0.01° |
| γ | 90° |
| Cell volume | 2945.6 ± 1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1504 |
| Residual factor for significantly intense reflections | 0.0816 |
| Weighted residual factors for significantly intense reflections | 0.1822 |
| Weighted residual factors for all reflections included in the refinement | 0.212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7216985.cif |
| 118584 | 2014-06-30 | cif/ Adding structures of 7216984, 7216985 via cif-deposit CGI script. |
7216985.cif |
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Users of the data should acknowledge the original authors of the
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