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Information card for entry 1100259
Preview
| Coordinates | 1100259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (1R)-2-(5-Pyrimidinyl)-8-azoniabicyclo(3.2.1)oct-2-ene oxalate 2-propanol solvate |
|---|---|
| Formula | C16 H23 N3 O5 |
| Calculated formula | C16.5 H23.5 N3 O5.5 |
| Title of publication | Synthesis and evaluation of diazine containing bioisosteres of (‒)-ferruginine as ligands for nicotinic acetylcholine receptors |
| Authors of publication | Gündisch, Daniela; Harms, Klaus; Schwarz, Simone; Seitz, Gunther; Stubbs, Milton T.; Wegge, Thomas |
| Journal of publication | Bioorganic & Medicinal Chemistry |
| Year of publication | 2001 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 2683 - 2691 |
| a | 10.8874 ± 0.0007 Å |
| b | 11.2061 ± 0.0009 Å |
| c | 14.4504 ± 0.0012 Å |
| α | 90° |
| β | 108.246 ± 0.007° |
| γ | 90° |
| Cell volume | 1674.38 Å3 |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 5.62 |
| Weighted residual factors for significantly intense reflections | 5.62 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178074 (current) | 2016-03-10 | cif/1/10/02/ (antanas@echidna.ibt.lt) Updating bibliography for entry 1100259. |
1100259.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1100259.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1100259.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100259.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. |
1100259.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
1100259.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/' |
1100259.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100259.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. |
1100259.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) |
1100259.cif |
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Users of the data should acknowledge the original authors of the
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