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Information card for entry 7216984
Preview
| Coordinates | 7216984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 9-(5-nitrofuran-2-ylidene)-2,4,5,7-tetranitrofluorene: dioxane (1:2) |
|---|---|
| Formula | C26 H23 N5 O15 |
| Calculated formula | C26 H23 N5 O15 |
| 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 | 15.588 ± 0.005 Å |
| b | 8.667 ± 0.003 Å |
| c | 21.798 ± 0.004 Å |
| α | 90° |
| β | 109.43 ± 0.02° |
| γ | 90° |
| Cell volume | 2777.2 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7216984.cif |
| 180500 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/69. |
7216984.cif |
| 118584 | 2014-06-30 | cif/ Adding structures of 7216984, 7216985 via cif-deposit CGI script. |
7216984.cif |
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