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Information card for entry 4021102
Preview
| Coordinates | 4021102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H54 Br4 Cl2 N4 O8 |
|---|---|
| Calculated formula | C72.21 H52.48 Br4 Cl0.48 N4 O8 |
| Title of publication | Preparation and Characterization of Regioisomerically Pure 1,7-Disubstituted Perylene Bisimide Dyes |
| Authors of publication | Frank Würthner; Vladimir Stepanenko; Zhijian Chen; Chantu R. Saha-Möller; Nikolaus Kocher; Dietmar Stalke |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2004 |
| Journal volume | 69 |
| Pages of publication | 7933 - 7939 |
| a | 10.9311 ± 0.0008 Å |
| b | 14.0064 ± 0.001 Å |
| c | 21.9075 ± 0.0016 Å |
| α | 72.605 ± 0.001° |
| β | 81.323 ± 0.001° |
| γ | 70.889 ± 0.001° |
| Cell volume | 3019.13 Å3 |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4021102.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4021102.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4021102.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. |
4021102.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/' |
4021102.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4021102.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. |
4021102.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) |
4021102.cif |
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Users of the data should acknowledge the original authors of the
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