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Information card for entry 4061089
Preview
| Coordinates | 4061089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H64 Li4 N4 |
|---|---|
| Calculated formula | C48 H64 Li4 N4 |
| SMILES | [C]12(=CC=CC=C1)[Li]13([C]456=[CH]7C=CC=[CH]84[Li]49%10215[C]125=[CH]4(C=CC=[CH]91)[Li]1678%102[C]2(=CC=CC=C2)[Li]251[N]1(C)C[C@@H]4C[C@H](C1)[C@@H]1CCCC[N]21C4)[N]1(C)C[C@@H]2C[C@H](C1)[C@@H]1CCCC[N]31C2 |
| 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 | 12.6284 ± 0.0015 Å |
| b | 9.8217 ± 0.0012 Å |
| c | 17.538 ± 0.002 Å |
| α | 90° |
| β | 99.331 ± 0.002° |
| γ | 90° |
| Cell volume | 2146.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209918 (current) | 2018-08-18 | cif/4/06/10/ Updating bibliography in entries 4061087-4061089. |
4061089.cif |
| 178499 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/10. |
4061089.cif |
| 101220 | 2014-02-11 | cif/4/06/10/ Adding full bibliography for structures 406108[789]. |
4061089.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4061089.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. |
4061089.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. |
4061089.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/' |
4061089.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4061089.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. |
4061089.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) |
4061089.cif |
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Users of the data should acknowledge the original authors of the
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