Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4067627
Preview
Coordinates | 4067627.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H38 B F3 N9 O4 P S W |
---|---|
Calculated formula | C29 H38 B F3 N9 O4 P S W |
SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1C(=[N+](C)C)CCC([CH]3=1)c1c[nH]c2ccccc12.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Single and Double Electrophilic Addition Reactions to the Aniline Ring Promoted by a Tungsten π-Base |
Authors of publication | Salomon, Rebecca J.; Todd, Michael A.; Sabat, Michal; Myers, William H.; Harman, W. Dean |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 4 |
Pages of publication | 707 |
a | 18.5656 ± 0.0003 Å |
b | 15.6461 ± 0.0003 Å |
c | 14.586 ± 0.0003 Å |
α | 90° |
β | 126.103 ± 0.003° |
γ | 90° |
Cell volume | 3423.27 ± 0.17 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 9 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0196 |
Residual factor for significantly intense reflections | 0.0188 |
Weighted residual factors for significantly intense reflections | 0.0526 |
Weighted residual factors for all reflections included in the refinement | 0.0538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4067627.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.