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Information card for entry 7011138
Preview
| Coordinates | 7011138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128 H140 Li20 N10 O7 |
|---|---|
| Calculated formula | C128 H130 Li20 N10 O7 |
| Title of publication | A solid state and theoretical study of the solvent effects controlling the mono- and di-lithiation of aromatic primary amines |
| Authors of publication | Armstrong, David R.; Ball, Sarah C.; Barr, Donald; Clegg, William; Linton, David J.; Kerr, Lesley C.; Moncrieff, David; Raithby, Paul R.; Singer, Robert J.; Snaith, Ronald; Stalke, Dietmar; Wheatley, Andrew E. H.; Wright, Dominic S. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 12 |
| Pages of publication | 2505 |
| a | 14.111 ± 0.002 Å |
| b | 14.27 ± 0.003 Å |
| c | 28.866 ± 0.005 Å |
| α | 90° |
| β | 93.84 ± 0.02° |
| γ | 90° |
| Cell volume | 5799.5 ± 1.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1965 |
| Residual factor for significantly intense reflections | 0.1372 |
| Weighted residual factors for significantly intense reflections | 0.4305 |
| Weighted residual factors for all reflections included in the refinement | 0.497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.422 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011138.cif |
| 179815 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/11. |
7011138.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011138.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011138.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011138.cif |
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Users of the data should acknowledge the original authors of the
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