Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1100379
Preview
| Coordinates | 1100379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 N2 O2 |
|---|---|
| Calculated formula | C26 H28 N2 O2 |
| SMILES | O=C1ON([C@@H](C1)[C@@H](N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)C |
| Title of publication | Stereoselective synthesis of β-amino hydroxylamines |
| Authors of publication | Reetz, Manfred T.; Röhrig, Dirk; Harms, Klaus; Frenking, Gernot |
| Journal of publication | Tetrahedron Letters |
| Year of publication | 1994 |
| Journal volume | 35 |
| Journal issue | 47 |
| Pages of publication | 8765 - 8768 |
| a | 10.31 ± 0.002 Å |
| b | 18.718 ± 0.002 Å |
| c | 23.545 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4543.77 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 |
|---|---|---|---|
| 176942 (current) | 2016-02-25 | cif/1/10/ (antanas@echidna.ibt.lt) Adding full bibliography for entry 1100379. |
1100379.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1100379.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100379.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. |
1100379.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/' |
1100379.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100379.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. |
1100379.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) |
1100379.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.