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Information card for entry 4020245
Preview
| Coordinates | 4020245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H28 Br2 Cl2 O10 |
|---|---|
| Calculated formula | C30 H28 Br2 Cl2 O10 |
| SMILES | Brc1ccc(O[C@@]23O[C@@](OCC)([C@@]4([C@]2([C@]4(Cl)Oc2ccc(Br)cc2)C(=O)OCC)C(=O)OCC)C(=C3C(=O)OCC)Cl)cc1.Brc1ccc(O[C@]23O[C@](OCC)([C@]4([C@@]2([C@@]4(Cl)Oc2ccc(Br)cc2)C(=O)OCC)C(=O)OCC)C(=C3C(=O)OCC)Cl)cc1 |
| Authors of publication | Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2005 |
| Journal volume | 70 |
| Pages of publication | 4840 - 4846 |
| a | 17.79 ± 0.004 Å |
| b | 7.9794 ± 0.0016 Å |
| c | 22.872 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3246.8 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4020245.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4020245.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4020245.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. |
4020245.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/' |
4020245.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4020245.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. |
4020245.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) |
4020245.cif |
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Users of the data should acknowledge the original authors of the
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