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Information card for entry 7150681
Preview
| Coordinates | 7150681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H20 Cl8 N6 O2 |
|---|---|
| Calculated formula | C39 H20 Cl8 N6 O2 |
| SMILES | c1ccc(C(=c2ccc([C@@]3(C(=O)C(=C(C(=O)[C@]3(c3ccc(=C(c4ccc[nH]4)c4c(cccc4Cl)Cl)n3)C#N)Cl)Cl)C#N)n2)c2c(cccc2Cl)Cl)[nH]1.C(Cl)Cl.c1ccc(C(=c2ccc([C@]3(C(=O)C(=C(C(=O)[C@@]3(c3ccc(=C(c4ccc[nH]4)c4c(cccc4Cl)Cl)n3)C#N)Cl)Cl)C#N)n2)c2c(cccc2Cl)Cl)[nH]1.C(Cl)Cl |
| Title of publication | Facile synthesis of dicyanovinyl-di(meso-aryl)dipyrromethenes via a dipyrromethene‒DDQ adduct |
| Authors of publication | Shin, Ji-Young; Patrick, Brian O.; Dolphin, David |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 2032 - 2035 |
| a | 11.2796 ± 0.0018 Å |
| b | 12.066 ± 0.002 Å |
| c | 14.734 ± 0.002 Å |
| α | 83.1 ± 0.008° |
| β | 79.807 ± 0.008° |
| γ | 89.782 ± 0.008° |
| Cell volume | 1959 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1628 |
| Weighted residual factors for all reflections included in the refinement | 0.1743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180292 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/06. |
7150681.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150681.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150681.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150681.cif |
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