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Information card for entry 1558380
Preview
| Coordinates | 1558380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C20H10O2.C12H4N4 |
|---|---|
| Formula | C32 H14 N4 O2 |
| Calculated formula | C32 H14 N4 O2 |
| SMILES | O1c2cccc3ccc4Oc5cccc6ccc1c(c4c23)c56.N#CC(=C1C=CC(C=C1)=C(C#N)C#N)C#N |
| Title of publication | Crystal Structure of a Complex of peri-Xanthenoxanthene (PXX) with Tetracyanoquinodimethane (TCNQ) |
| Authors of publication | Hjorth, Michael; Thorup, Niels; Frederiksen, Peter; Bechgaard, Klaus |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1994 |
| Journal volume | 48 |
| Pages of publication | 139 - 143 |
| a | 6.645 ± 0.001 Å |
| b | 8.434 ± 0.004 Å |
| c | 11.145 ± 0.005 Å |
| α | 68 ± 0.04° |
| β | 76.39 ± 0.05° |
| γ | 84.43 ± 0.05° |
| Cell volume | 562.8 ± 0.4 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.184 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253304 (current) | 2020-06-22 | cif/ Adding structures of 1558380 via cif-deposit CGI script. |
1558380.cif |
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Users of the data should acknowledge the original authors of the
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