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Information card for entry 7150315
Preview
| Coordinates | 7150315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H52 Br12 N6 O0.5 |
|---|---|
| Calculated formula | C81 H51 Br12 N6 O0.5 |
| Title of publication | Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host. |
| Authors of publication | Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2004 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | 175 - 182 |
| a | 13.144 ± 0.007 Å |
| b | 13.939 ± 0.006 Å |
| c | 20.671 ± 0.009 Å |
| α | 79.67 ± 0.03° |
| β | 81.27 ± 0.02° |
| γ | 80.1 ± 0.02° |
| Cell volume | 3642 ± 3 Å3 |
| Cell temperature | 294 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 significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.51 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180289 (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 7/15/03. |
7150315.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150315.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150315.cif |
| 3898 | 2010-12-09 | cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line. |
7150315.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7150315.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
7150315.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7150315.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
7150315.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
7150315.cif |
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Users of the data should acknowledge the original authors of the
structural data.