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Information card for entry 7150683
Preview
| Coordinates | 7150683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C22 H11 Cl4 N3 O3 |
|---|---|
| Calculated formula | C22 H11 Cl4 N3 O3 |
| SMILES | C1(=O)C(=C(/C(=C(c2ccc(C(=c3ccc(n3)OC)c3c(cccc3Cl)Cl)[nH]2)\C#N)O1)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 | 7.8137 ± 0.0008 Å |
| b | 9.9057 ± 0.0011 Å |
| c | 14.0837 ± 0.0016 Å |
| α | 84.895 ± 0.005° |
| β | 77.368 ± 0.005° |
| γ | 81.828 ± 0.005° |
| Cell volume | 1051 ± 0.2 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150683.cif |
| 180292 | 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. |
7150683.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150683.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150683.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150683.cif |
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Users of the data should acknowledge the original authors of the
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