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Information card for entry 4101241
Preview
| Coordinates | 4101241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | methyl red |
|---|---|
| Formula | C15 H15 N3 O2 |
| Calculated formula | C15 H15 N3 O2 |
| SMILES | OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 |
| Title of publication | 'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid' |
| Authors of publication | Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| a | 8.237 ± 0.0005 Å |
| b | 8.499 ± 0.0006 Å |
| c | 11.211 ± 0.001 Å |
| α | 92.478 ± 0.003° |
| β | 110.281 ± 0.003° |
| γ | 113.705 ± 0.003° |
| Cell volume | 658.66 ± 0.09 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| 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 |
|---|---|---|---|
| 277856 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4101241.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4101241.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4101241.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101241.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. |
4101241.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/' |
4101241.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4101241.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. |
4101241.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) |
4101241.cif |
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Users of the data should acknowledge the original authors of the
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