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Information card for entry 7101603
Preview
| Coordinates | 7101603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | theophylline L-tartaric acid 2/1 |
|---|---|
| Chemical name | theophylline L-tartaric acid 2/1 |
| Formula | C18 H22 N8 O10 |
| Calculated formula | C18 H22 N8 O10 |
| Title of publication | Exploring cocrystal-cocrystal reactivity via liquid-assisted grinding: assembling of racemic and dismantling of enantiomeric cocrystals |
| Authors of publication | W. Jones; Jonathan C. Burley; Laszlo Fabian; Tomislav Friscic; W. D. Sam Motherwell |
| Journal of publication | Chemical Communications |
| Year of publication | 2006 |
| Journal issue | 48 |
| a | 8.9522 ± 0.0004 Å |
| b | 6.7582 ± 0.0005 Å |
| c | 18.8755 ± 0.0014 Å |
| α | 90° |
| β | 100.685 ± 0.004° |
| γ | 90° |
| Cell volume | 1122.19 ± 0.13 Å3 |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0817 |
| Goodness-of-fit parameter for all reflections | 1.3 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180118 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/16. |
7101603.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
7101603.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7101603.cif |
| 91955 | 2013-12-31 | cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number. |
7101603.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7101603.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. |
7101603.cif |
| 271 | 2008-03-15 | Adding CIF files from the Chem-Comm-2006-20_48/ deposion. |
7101603.cif |
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Users of the data should acknowledge the original authors of the
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