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Information card for entry 7112797
Preview
| Coordinates | 7112797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H54 Cl2 Li2 N8 Y2 |
|---|---|
| Calculated formula | C32 H54 Cl2 Li2 N8 Y2 |
| SMILES | [Y]12345678([cH]9[cH]7[cH]6[cH]5[cH]49)[N]4(C)[CH]52[N]1(CCC4)C[N]12[Li]45([N]([CH]314)(CCC2)C)[Cl][Y]1234567([cH]9[cH]7[cH]6[cH]5[cH]49)[N]4(C)[CH]52[N]1(CCC4)C[N]12[Li]45([N]([CH]314)(CCC2)C)[Cl]8 |
| Title of publication | Three different product types from reactions of lithiated cyclic aminals with trivalent organometal chlorides. |
| Authors of publication | Hellmann, Benjamin J.; Kamps, Ina; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 35 |
| Pages of publication | 6536 - 6538 |
| a | 8.477 ± 0.0001 Å |
| b | 21.3447 ± 0.0004 Å |
| c | 10.8024 ± 0.0002 Å |
| α | 90° |
| β | 105.85 ± 0.0011° |
| γ | 90° |
| Cell volume | 1880.26 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0306 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0562 |
| Weighted residual factors for all reflections included in the refinement | 0.0588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180241 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27. |
7112797.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7112797.cif |
| 112094 | 2014-04-29 | cif/ Adding structures of 7112797, 7112798, 7112799 via cif-deposit CGI script. |
7112797.cif |
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Users of the data should acknowledge the original authors of the
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