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Information card for entry 7202511
Preview
| Coordinates | 7202511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5,12-dihydro-quino(2,3-b)acridine-7,14-dione |
|---|---|
| Chemical name | 5,12-dihydro-quino[2,3-b]acridine-7,14-dione |
| Formula | C20 H12 N2 O2 |
| Calculated formula | C20 H12 N2 O2 |
| SMILES | c1c2Nc3ccccc3C(c2cc2c1C(c1ccccc1N2)=O)=O |
| Title of publication | Crystal structures of quinacridones |
| Authors of publication | Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U. |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 131 |
| a | 3.8017 ± 0.0015 Å |
| b | 6.6115 ± 0.0032 Å |
| c | 14.485 ± 0.006 Å |
| α | 100.68 ± 0.08° |
| β | 94.4 ± 0.06° |
| γ | 102.11 ± 0.05° |
| Cell volume | 347.3 ± 0.3 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 4.18 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180356 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/25. |
7202511.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202511.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202511.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7202511.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7202511.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202511.cif |
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