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Information card for entry 2100198
Preview
| Coordinates | 2100198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Strychnine |
|---|---|
| Formula | C21 H22 N2 O2 |
| Calculated formula | C21 H22 N2 O2 |
| SMILES | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 |
| Title of publication | Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets |
| Authors of publication | Messerschmidt, Marc; Scheins, Stephan; Luger, Peter |
| Journal of publication | Acta Crystallographica, Section B: Structural Science |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 1 |
| Pages of publication | 115 - 121 |
| a | 11.309 ± 0.001 Å |
| b | 11.785 ± 0.001 Å |
| c | 12.002 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1599.65 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277834 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2100198.cif |
| 249495 | 2020-03-18 | cif/2/10/ Updated bibliographic information in entries 2100198-2100201. |
2100198.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2100198.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. |
2100198.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/' |
2100198.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2100198.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. |
2100198.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) |
2100198.cif |
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Users of the data should acknowledge the original authors of the
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