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Information card for entry 8101240
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| Coordinates | 8101240.cif |
|---|
| Formula | C60 H40 N4 |
|---|---|
| Calculated formula | C60 H40 N4 |
| Title of publication | Crystal structure of pyrene—5,10,15,20-tetraphenyl-21<i>H</i>,23 <i>H</i>-porphyrin (1/1), C~60~H~40~N~4~ |
| Authors of publication | Blömker, Jens; Frey, Wolfgang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2000 |
| Journal volume | 215 |
| Journal issue | 2 |
| Pages of publication | 263 - 264 |
| a | 9.727 ± 0.003 Å |
| b | 10.854 ± 0.003 Å |
| c | 11.62 ± 0.003 Å |
| α | 106.3 ± 0.02° |
| β | 104.11 ± 0.02° |
| γ | 104.43 ± 0.02° |
| Cell volume | 1073.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| 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. |
8101240.cif |
| 102816 | 2014-02-23 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101240.cif |
| 100676 | 2014-02-06 | cif/8/ (antanas@lokys.ibt.lt) Adding volume number. |
8101240.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101240.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. |
8101240.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/' |
8101240.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101240.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. |
8101240.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) |
8101240.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.