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Information card for entry 7150555
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| Coordinates | 7150555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 3-Iodo-6-methoxy-4-(p-methoxyphenyl)-2-trifluoromethyl)quinoline |
|---|---|
| Formula | C18 H13 F3 I N O2 |
| Calculated formula | C18 H13 F3 I N O2 |
| SMILES | c1(c(c(c2c(ccc(c2)OC)n1)c1ccc(cc1)OC)I)C(F)(F)F |
| Title of publication | Synthesis of highly substituted 2-perfluoroalkyl quinolines by electrophilic iodocyclization of perfluoroalkyl propargyl imines/amines |
| Authors of publication | Likhar, Pravin R.; Subhas, Madavu Salian; Roy, Sarabindu; Kantam, Mannepalli Lakshmi; Sridhar, Balasubramanian; Seth, Ratanesh Kumar; Biswas, Sukla |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 85 - 93 |
| a | 8.995 ± 0.002 Å |
| b | 10.147 ± 0.002 Å |
| c | 11.016 ± 0.003 Å |
| α | 107.1 ± 0.004° |
| β | 95.726 ± 0.004° |
| γ | 110.042 ± 0.003° |
| Cell volume | 880 ± 0.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0275 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 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. |
7150555.cif |
| 180291 | 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 7/15/05. |
7150555.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150555.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150555.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150555.cif |
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