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Information card for entry 2100131
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| Coordinates | 2100131.cif |
|---|---|
| External links | ChemSpider |
| Formula | C25 H36 Cl N9 O6 |
|---|---|
| Calculated formula | C25 H36 Cl N9 O6 |
| SMILES | Clc1cccc(NC(=O)Nc2nn(c(c3[nH]c4c(N(C(=O)N(C4=O)CCC)CCC)n3)c2)C)c1.O=CN(C)C.O.O |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 2005 |
| Journal volume | 61 |
| Pages of publication | 569 - 576 |
| a | 10.533 ± 0.0002 Å |
| b | 11.1912 ± 0.0002 Å |
| c | 14.2829 ± 0.0004 Å |
| α | 85.532 ± 0.001° |
| β | 81.842 ± 0.0011° |
| γ | 63.019 ± 0.0013° |
| Cell volume | 1485.02 ± 0.06 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| 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 |
|---|---|---|---|
| 201972 (current) | 2017-10-13 | cif/ Marking COD entries in range 2/10 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2100131.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2100131.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2100131.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. |
2100131.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/' |
2100131.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2100131.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. |
2100131.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) |
2100131.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.