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Information card for entry 2237284
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| Coordinates | 2237284.cif |
|---|---|
| Structure factors | 2237284.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Aminoanthrachinone-Tetracyanchinodimethane |
|---|---|
| Chemical name | 1-Aminoanthraquinone–2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile (1/1) |
| Formula | C26 H13 N5 O2 |
| Calculated formula | C26 H13 N5 O2 |
| SMILES | Nc1cccc2c1C(=O)c1ccccc1C2=O.N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N |
| Title of publication | The charge-transfer complex 1-aminoanthraquinone–7,7',8,8'-tetracyanoquinodimethane (1/1) |
| Authors of publication | de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Santos, Jaciara Nascimento; Feitosa, Bárbara Regina Santos |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o301 |
| a | 7.4916 ± 0.0002 Å |
| b | 9.4321 ± 0.0003 Å |
| c | 28.8093 ± 0.0008 Å |
| α | 90° |
| β | 95.8785 ± 0.0015° |
| γ | 90° |
| Cell volume | 2025 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1063 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237284.cif 2237284.hkl |
| 181294 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/72. |
2237284.cif 2237284.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237284.cif 2237284.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237284.cif 2237284.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237284.cif 2237284.hkl |
| 75284 | 2013-03-09 | cif/ Adding structures of 2237284 via cif-deposit CGI script. |
2237284.cif |
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Users of the data should acknowledge the original authors of the
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