Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088241
Preview
Coordinates | 4088241.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H70 B9 N4 O Ta |
---|---|
Calculated formula | C36 H70 B9 N4 O Ta |
SMILES | [Ta]1234(N(C5CCCCC5)C5C(=NC6(N(C=5)C5CCCCC5)CCCCC6)C(N1C1CCCCC1)(C)C)([BH]156[BH]782[BH]293[BH]3%108[BH]857[BH]571[BH]1%11%12[BH]23([BH]%10851)[C]9%11([CH]467%12)CCOC)C |
Title of publication | Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles |
Authors of publication | Xiang, Li; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 2 |
Pages of publication | 233 |
a | 10.8636 ± 0.001 Å |
b | 15.6146 ± 0.0016 Å |
c | 24.205 ± 0.003 Å |
α | 90° |
β | 95.392 ± 0.002° |
γ | 90° |
Cell volume | 4087.7 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0739 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1419 |
Weighted residual factors for all reflections included in the refinement | 0.1549 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4088241.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.