Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4071478.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.