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Information card for entry 8100202
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| Coordinates | 8100202.cif |
|---|---|
| External links | ChemSpider |
| Formula | C38 H31 N9 O8 |
|---|---|
| Calculated formula | C38 H31 N9 O8 |
| SMILES | O=C([O-])c1cccc(N(=O)=O)c1.O=C(O)c1cccc(N(=O)=O)c1.N(Cc1[nH+]c2ccccc2[nH]1)(Cc1nc2c([nH]1)cccc2)Cc1[nH]c2c(n1)cccc2 |
| Title of publication | Crystal structure of [bis(2-benzimidazolylmethyl)(2-benzimidazoliummethyl)] amine 3-nitrobenzoate 3-nitrobenzoic acid, (C~24~H~22~N~7~)(C~7~H~4~NO~4~) (C~7~H~5~NO~4~) |
| Authors of publication | Ji, Bao-Ming; Jian, Fang-Fang; Sun, Ping-Ping; Du, Chen-Xia; Ding, Kui-Ling |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2004 |
| Journal volume | 219 |
| Journal issue | 4 |
| Pages of publication | 466 - 468 |
| a | 12.2678 ± 0.001 Å |
| b | 12.4912 ± 0.001 Å |
| c | 13.3483 ± 0.001 Å |
| α | 91.23 ± 0.002° |
| β | 100.087 ± 0.002° |
| γ | 114.919 ± 0.001° |
| Cell volume | 1816 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 |
|---|---|---|---|
| 277875 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
8100202.cif |
| 202018 | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8100202.cif |
| 107867 | 2014-03-22 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100202.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100202.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. |
8100202.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. |
8100202.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/' |
8100202.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100202.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. |
8100202.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) |
8100202.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.