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Information card for entry 4068796
Preview
| Coordinates | 4068796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H47 Cu Li N O3 |
|---|---|
| Calculated formula | C27 H47 Cu Li N O3 |
| Title of publication | Gilman-Type versus Lipshutz-Type Reagents: Competition in Lithiocuprate Chemistry |
| Authors of publication | Haywood, Joanna; Morey, James V.; Wheatley, Andrew E. H.; Liu, Ching-Yuan; Yasuike, Shuji; Kurita, Jyoji; Uchiyama, Masanobu; Raithby, Paul R. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 1 |
| Pages of publication | 38 |
| a | 10.556 ± 0.002 Å |
| b | 11.664 ± 0.002 Å |
| c | 11.939 ± 0.002 Å |
| α | 77.32 ± 0.03° |
| β | 72.54 ± 0.03° |
| γ | 85.82 ± 0.03° |
| Cell volume | 1368 ± 0.5 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4068796.cif |
| 178577 | 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 4/06/87. |
4068796.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068796.cif |
| 39977 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068796 via cif-deposit CGI script. |
4068796.cif |
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Users of the data should acknowledge the original authors of the
structural data.