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Information card for entry 5000393
Preview
| Coordinates | 5000393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 10-Acetoxy-9,11,20,22-tetraphenyltetrabenzo(a,c,l,n)pentacene |
|---|---|
| Formula | C64 H40 O2 |
| Calculated formula | C136 H90 O10 |
| Authors of publication | Jiajia Zhang; D.M.Ho; R.A.Pascal Junior |
| Journal of publication | Tetrahedron Lett. |
| Year of publication | 1999 |
| Journal volume | 40 |
| Pages of publication | 3859 |
| a | 10.1184 ± 0.0004 Å |
| b | 14.51 ± 0.0006 Å |
| c | 14.8047 ± 0.0004 Å |
| α | 90° |
| β | 101.102 ± 0.002° |
| γ | 90° |
| Cell volume | 2132.92 Å3 |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 6.02 |
| Weighted residual factors for significantly intense reflections | 6.02 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176451 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 5. |
5000393.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
5000393.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000393.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. |
5000393.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
5000393.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/' |
5000393.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000393.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. |
5000393.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) |
5000393.cif |
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Users of the data should acknowledge the original authors of the
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