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Information card for entry 4020585
Preview
| Coordinates | 4020585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H24 Li N O2 |
|---|---|
| Calculated formula | C14 H24 Li N O2 |
| SMILES | [O]1(CC[N]23CCC[c]45[cH]6[cH]7[cH]8[cH]4[Li]135678[O](CC2)C)C |
| Title of publication | Internally Solvated Cyclopentadienyllithium Compounds: Structural Integrity of the Cp^-^Li^+^ Moiety. NMR, Dynamics, X-ray Crystallography, and Calculations |
| Authors of publication | Gideon Fraenkel; Xiao Chen; Albert Chow; Judith C. Gallucci; Hua Liu |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2005 |
| Journal volume | 70 |
| Pages of publication | 9131 - 9138 |
| a | 7.802 ± 0.001 Å |
| b | 8.305 ± 0.002 Å |
| c | 11.828 ± 0.003 Å |
| α | 89.59 ± 0.01° |
| β | 81.61 ± 0.01° |
| γ | 74.16 ± 0.01° |
| Cell volume | 729 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277842 (current) | 2022-09-14 | cif/4/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4020585.cif |
| 277841 | 2022-09-14 | cif/4/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4020585.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4020585.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4020585.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. |
4020585.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/' |
4020585.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4020585.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. |
4020585.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) |
4020585.cif |
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Users of the data should acknowledge the original authors of the
structural data.