Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133395
Preview
Coordinates | 4133395.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H24 F3 Ge N O2 |
---|---|
Calculated formula | C26 H24 F3 Ge N O2 |
SMILES | [Ge](/C(=C/N1C(=O)OCC1(C)C)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Radical Germylzincation of α-Heteroatom-Substituted Alkynes. |
Authors of publication | de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 50 |
Pages of publication | 17632 - 17642 |
a | 11.4162 ± 0.0003 Å |
b | 16.8675 ± 0.0005 Å |
c | 24.7995 ± 0.0007 Å |
α | 90° |
β | 96.907 ± 0.002° |
γ | 90° |
Cell volume | 4740.8 ± 0.2 Å3 |
Cell temperature | 200 ± 1 K |
Ambient diffraction temperature | 200 ± 1 K |
Number of distinct elements | 6 |
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 | 0.0561 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0716 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/4133395.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.