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Information card for entry 2012158
Preview
| Coordinates | 2012158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 |
|---|---|
| Calculated formula | C22 H14 |
| SMILES | c1ccc2c(c1)cc1c(c2)cc2c(c1)cc1c(c2)cccc1 |
| Title of publication | Polymorphism in pentacene |
| Authors of publication | Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; de Boer, Jan L.; Palstra, Thomas T. M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | 939 - 941 |
| a | 6.239 ± 0.001 Å |
| b | 7.636 ± 0.001 Å |
| c | 14.33 ± 0.002 Å |
| α | 76.978 ± 0.003° |
| β | 88.136 ± 0.003° |
| γ | 84.415 ± 0.003° |
| Cell volume | 661.94 ± 0.17 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 ± 1 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277834 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2012158.cif |
| 175360 | 2016-02-01 | cif/ (antanas@echidna.ibt.lt) Updating bibliography for entries 2012158, 5000180 and marking entry 5000180 as a duplicate of entry 2012158. |
2012158.cif |
| 125874 | 2014-10-25 | cod/ (saulius@kolibris) Adding DOIs to 358 Acta Cryst. C CIFs, found using ISSN, volume and first page. |
2012158.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2012158.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2012158.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. |
2012158.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/' |
2012158.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2012158.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. |
2012158.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) |
2012158.cif |
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Users of the data should acknowledge the original authors of the
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