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Information card for entry 4071482
Preview
Coordinates | 4071482.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H26 N2 Zn |
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Calculated formula | C22 H26 N2 Zn |
SMILES | [Zn]1([N](C)(C)CC[N]1(C)C)(C#Cc1ccccc1)C#Cc1ccccc1 |
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 | 11.6198 ± 0.0006 Å |
b | 9.6815 ± 0.0006 Å |
c | 18.3865 ± 0.0011 Å |
α | 90° |
β | 107.61 ± 0.003° |
γ | 90° |
Cell volume | 1971.5 ± 0.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0936 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1131 |
Weighted residual factors for all reflections included in the refinement | 0.1281 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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