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Information card for entry 4023582
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| Coordinates | 4023582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 8,19-Dimethoxy-(7a,9a,18a,20a)-7,9,18,20-tetrahydro- 7,20:9,18-dimethanononaphthacene tetracyanobenzene |
|---|---|
| Formula | C61 H37 Cl6 N2 O2 |
| Calculated formula | C61 H37 Cl6 N2 O2 |
| Title of publication | Molecular Clips with Extended Aromatic Sidewalls as Receptors for Electron-Acceptor Molecules. Synthesis and NMR, Photophysical, and Electrochemical Properties |
| Authors of publication | Barbara Branchi; Vincenzo Balzani; Paola Ceroni; Mireia Campañá Kuchenbrandt; Frank-Gerrit Klärner; Dieter Bläser; Roland Boese |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2008 |
| Journal volume | 73 |
| Pages of publication | 5839 - 5851 |
| a | 34.167 ± 0.003 Å |
| b | 14.8708 ± 0.0015 Å |
| c | 22.173 ± 0.002 Å |
| α | 90° |
| β | 117.776 ± 0.002° |
| γ | 90° |
| Cell volume | 9967.8 ± 1.7 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2173 |
| Residual factor for significantly intense reflections | 0.0865 |
| Weighted residual factors for significantly intense reflections | 0.2122 |
| Weighted residual factors for all reflections included in the refinement | 0.2868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4023582.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4023582.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4023582.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4023582.cif |
| 762 | 2009-06-20 | cif/4/: Adding CIFs from the J-Org-Chem-2008 deposition. |
4023582.cif |
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