Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4061087
Preview
| Coordinates | 4061087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H58 Li2 N4 |
|---|---|
| Calculated formula | C32 H58 Li2 N4 |
| SMILES | [CH3]1[Li]2([N]34CCCC[C@@H]3[C@H]3C[C@@H](C4)[C@@H]4CCCC[N]24C3)[CH3][Li]21[N]13CCCC[C@H]1[C@@H]1C[C@H](C3)[C@H]3CCCC[N]23C1 |
| Title of publication | Crystal Structures of (+)-Sparteine Surrogate Adducts of Methyllithium and Phenyllithium |
| Authors of publication | Strohmann, Carsten; Strohfeldt, Katja; Schildbach, Daniel; McGrath, Matthew J.; O'Brien, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2004 |
| Journal volume | 23 |
| Journal issue | 23 |
| Pages of publication | 5389 - 5391 |
| a | 13.432 ± 0.003 Å |
| b | 10.439 ± 0.002 Å |
| c | 11.186 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1568.4 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4061087.cif |
| 209918 | 2018-08-18 | cif/4/06/10/ Updating bibliography in entries 4061087-4061089. |
4061087.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4061087.cif |
| 101220 | 2014-02-11 | cif/4/06/10/ Adding full bibliography for structures 406108[789]. |
4061087.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4061087.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. |
4061087.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/' |
4061087.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4061087.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. |
4061087.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) |
4061087.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.