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Information card for entry 4071478
Preview
| Coordinates | 4071478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H48 N3 Na Zn |
|---|---|
| Calculated formula | C20 H48 N3 Na Zn |
| SMILES | [Zn]([N]([Na]1[N](C)(C)CC[N]1(C)C)(C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene† |
| Authors of publication | Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 11 |
| Pages of publication | 2654 |
| a | 27.7184 ± 0.001 Å |
| b | 9.8386 ± 0.0003 Å |
| c | 19.6286 ± 0.0007 Å |
| α | 90° |
| β | 102.215 ± 0.002° |
| γ | 90° |
| Cell volume | 5231.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1029 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178603 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/14. |
4071478.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071478.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071478.cif |
| 43859 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071478, 4071479, 4071480, 4071481, 4071482, 4071483 via cif-deposit CGI script. |
4071478.cif |
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Users of the data should acknowledge the original authors of the
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