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Information card for entry 7106224
Preview
| Coordinates | 7106224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C17 H12 Br I O2 |
|---|---|
| Calculated formula | C17 H12 Br I O2 |
| SMILES | Ic1c(oc(c2ccccc2)c1Br)c1ccc(OC)cc1 |
| Title of publication | Facile synthesis of 3,4-dihalofurans via electrophilic iodocyclization |
| Authors of publication | Yang, Fan; Jin, Tienan; Bao, Ming; Yamamoto, Yoshinori |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2011 |
| Journal volume | 47 |
| Journal issue | 15 |
| Pages of publication | 4541 - 4543 |
| a | 5.4654 ± 0.0015 Å |
| b | 10.929 ± 0.003 Å |
| c | 25.79 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1540.5 ± 0.7 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7106224.cif |
| 210846 | 2018-09-11 | cif/7/ Updating bibliography in entries 7106224, 7112664. Marking entry 7112664 as a duplicate of entry 7106224. |
7106224.cif |
| 202017 | 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. |
7106224.cif |
| 180166 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/62. |
7106224.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7106224.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7106224.cif |
| 17021 | 2011-04-01 | ../uploads/cif-deposit/cod/cif Adding structures of 7106224 via cif-deposit CGI script. |
7106224.cif |
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Users of the data should acknowledge the original authors of the
structural data.