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Information card for entry 2000724
Preview
| Coordinates | 2000724.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C20 H12 N2 S2 |
|---|---|
| Calculated formula | C20 H12 N2 S2 |
| Title of publication | Structure of 5,7,12,14-tetrahydroquinolino[2,3-<i>b</i>]acridine-7,14-dithione |
| Authors of publication | Mizuguchi, J.; Rihs, G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 8 |
| Pages of publication | 1553 - 1555 |
| a | 10.657 ± 0.001 Å |
| b | 5.12 ± 0.001 Å |
| c | 14.813 ± 0.002 Å |
| α | 90° |
| β | 109.06 ± 0.01° |
| γ | 90° |
| Cell volume | 763.9 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Goodness-of-fit parameter for significantly intense reflections | 1.48 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249446 (current) | 2020-03-17 | cif/2/ Switching from COD_ERROR to COD_ENTRY_ISSUE CIF data items to describe the issues in a bunch of entries in range 2*. |
2000724.cif |
| 176343 | 2016-02-11 | cif/ (antanas@kurmis) Replacing _[local]_cod_depositor_comments tag with _cod_depositor_comments in multiple entries since this tag is widely used in the COD and formally defined in the COD CIF dictionary. All other _[local]_cod_* tags in the affected entries were also replaced with the appropriate tags without the '_[local]' prefix (except for the _[local]_cod_citation_special_details tag that was not affected since it does not yet have a formal definition in the COD CIF dictionary). |
2000724.cif |
| 176342 | 2016-02-11 | cif/ (antanas@kurmis) Merging the values of _[local]_cod_depositor_comments and _cod_depositor_comments tags in files where both tags were present. Also, deprecated _[local]_cod_* tags were replaced with their replacement tags. |
2000724.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
2000724.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2000724.cif |
| 54356 | 2012-04-25 | cif/2/ Fixing 6 files with incorrect symmetry operators (commenting out the symmetry operators, adding a _cod_depositor_comment message). |
2000724.cif |
| 32112 | 2012-02-03 | cif/: committing an update of 45+ thous files, with information appended from the originals. | 2000724.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2000724.cif |
| 26029 | 2011-09-17 | cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names). |
2000724.cif |
| 25271 | 2011-09-10 | cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields. |
2000724.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. |
2000724.cif |
| 665 | 2009-04-21 | Redepositing COD files reprocessed in the Acta-Cryst-C-1991-1993-redeposition/ directory. Although all structures were present in COD already, this redeposition enhances and improves the deposited files in several aspects: 1) full bibliographies, with diacrytic marks, are added from the IUCr BibTeX files; 2) chemical formula information is checked and fixed were necessary; 3) symmetry operators were checked for syntactic correctness, fixed were necessary, and spacegroup information was derived from these operators whenever possible; the original spacegroup was checked against the determined spacegroup and the differences were marked if present; 4) missing cell constants were restored, 5) at least in one entry, corrent coordinates were restored, 6) in entries where problems were detected, _code_depositor_comments and _cod_error_... tags were added, 7) information necessary to generate Acta Cryst. paper back-links was added, and the comment header agreed with IUCr was inserted. |
2000724.cif |
| 481 | 2008-11-20 | Changing volume number in numerous Acta Cryst. C published CIFs from 'C[0-9]?[0-9]' into '[0-9]?[0-9]'. This makes the COD CIF collection more uniform, and also helps the deposition scripts to spot potential duplicates more accurately. The command for this transformation was: for i in 2/*.cif; \ do ( \ if grep -q '_journal_volume *C' $i && \ grep -q '_journal_name_full .*Acta *Cryst' $i; \ then \ echo === $i ===; \ perl -i -pe 's/_journal_volume *C/_journal_volume /' $i; \ perl -i -pe \ "s/_journal_name_full .*/_journal_name_full 'Acta Crystallographica Section C'/" $i ; \ fi \ ) done |
2000724.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/' |
2000724.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2000724.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. |
2000724.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) |
2000724.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.