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Information card for entry 7151104
Preview
| Coordinates | 7151104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C43 H32 Br F5 P2 |
|---|---|
| Calculated formula | C43 H32 Br F5 P2 |
| SMILES | [Br-].[P+](/C=C1\C(=C(C(F)(F)C1(F)F)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)F)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Reaction of perfluorocyclopentene with various carbon nucleophiles‒heteroaromatic lithium reagents, enolate and phosphonium ylide. |
| Authors of publication | Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | 1442 - 1449 |
| a | 16.463 ± 0.009 Å |
| b | 18.19 ± 0.011 Å |
| c | 13.501 ± 0.01 Å |
| α | 90° |
| β | 111.93 ± 0.04° |
| γ | 90° |
| Cell volume | 3750 ± 4 Å3 |
| Cell temperature | 198.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.2354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7151104.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151104.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151104.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151104.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7151104.cif |
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Users of the data should acknowledge the original authors of the
structural data.