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Information card for entry 1100173
Preview
| Coordinates | 1100173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H22 N2 O4 |
|---|---|
| Calculated formula | C15 H22 N2 O4 |
| SMILES | O1[C@H](CC[C@H]1[C@@H](NC(=O)c1ccccc1)C)C(=O)NC.O |
| Title of publication | Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone |
| Authors of publication | Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus |
| Journal of publication | European Journal of Organic Chemistry |
| Year of publication | 1999 |
| Journal volume | 1999 |
| Journal issue | 11 |
| Pages of publication | 2977 - 2990 |
| a | 9.3531 ± 0.0011 Å |
| b | 10.5002 ± 0.0013 Å |
| c | 15.9 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1561.53 Å3 |
| 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 |
|---|---|---|---|
| 177980 (current) | 2016-03-07 | cif/1/ (antanas@kurmis) Adding full bibliography for entries 1100173, 1100645, 1100646, 1100647, 1100648. |
1100173.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1100173.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100173.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. |
1100173.cif |
| 900 | 2009-11-21 | cif/ Renaming data blocks of all COD CIFs so that they have COD number (taken from the COD file name) as their datablock number: find ? -name \*.cif \ | xargs \ perl \ -MFile::Basename \ -i \ -lpe 's/^data_([^\s]*)/"data_".basename($ARGV, ".cif")/e' After this change, 'cif2cod' will give correct keys in the generated table. Also, data block names are guaranteed to be distinct, so any subset of COD CIFs can be concatenated into one file without introducing ambiguity. |
1100173.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/' |
1100173.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100173.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. |
1100173.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) |
1100173.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.