Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082181
Preview
Coordinates | 4082181.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H68 Li2 N8 O2 P2 |
---|---|
Calculated formula | C42 H68 Li2 N8 O2 P2 |
SMILES | P(=[O][Li]1[N]([C@@H](C)c2ccccc2)(Cc2ccccc2)[Li]([O]=P(N(C)C)(N(C)C)N(C)C)[N]1([C@H](C)c1ccccc1)Cc1ccccc1)(N(C)C)(N(C)C)N(C)C |
Title of publication | Alkali-Metal-Induced C‒C Bond Cleavage and CH4Elimination in the Amido →Aza-Allyl Transformation of the (S)-N-α-(Methylbenzyl)benzylamido Anion |
Authors of publication | Andrews, Philip C.; Blair, Victoria L.; Border, Emily C.; Peatt, Anna C.; MacLellan, Jonathan G.; Thompson, Christopher D. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7509 |
a | 11.301 ± 0.002 Å |
b | 18.107 ± 0.004 Å |
c | 12.29 ± 0.003 Å |
α | 90° |
β | 112.24 ± 0.03° |
γ | 90° |
Cell volume | 2327.8 ± 1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 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 | 0.0997 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.1365 |
Weighted residual factors for all reflections included in the refinement | 0.1555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/4082181.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.