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Information card for entry 8102152
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| Coordinates | 8102152.cif |
|---|
| Chemical name | (2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)-pyridin-2-yl]-amine- (2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)-pyridin-2-yl]-amido-lithium |
|---|---|
| Formula | C50 H59 Li N4 |
| Calculated formula | C50 H59 Li N4 |
| SMILES | c12[n](c(ccc1)c1c(cccc1C)C)[Li](N2c1c(cccc1C(C)C)C(C)C)[n]1c(cccc1Nc1c(cccc1C(C)C)C(C)C)c1c(cccc1C)C |
| Title of publication | Crystal structure of (2,6-diisopropyl-phenyl)-(6-(2,6-dimethyl-phenyl)- pyridin-2-yl)-amine-(2,6-diisopropylphenyl)-(6-(2,6-dimethyl-phenyl)- pyridin-2-yl)-amidolithium, Li(C~25~H~29~N~2~)(C~25~H~30~N~2~) |
| Authors of publication | Espiga Ayuso, Andrea; Noor, Awal; Irrgang, Torsten; Glatz, Germund; Kempe, Rhett |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 281 - 283 |
| a | 10.712 ± 0.0008 Å |
| b | 19.47 ± 0.0016 Å |
| c | 20.681 ± 0.0019 Å |
| α | 90° |
| β | 94.178 ± 0.007° |
| γ | 90° |
| Cell volume | 4301.8 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1871 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102152.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102152.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102152.cif |
| 12891 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102152 via cif-deposit CGI script. |
8102152.cif |
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