Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1506310
Preview
Coordinates | 1506310.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H36 N2 O3 |
---|---|
Calculated formula | C30 H36 N2 O3 |
SMILES | O(C(=O)c1ccc(C(=C)[C@@H]([C@H](Nc2ccc(OC)cc2)c2cnccc2)CCCCCC)cc1)C.O(C(=O)c1ccc(C(=C)[C@H]([C@@H](Nc2ccc(OC)cc2)c2cnccc2)CCCCCC)cc1)C |
Title of publication | Allylpalladium umpolung in the three-component coupling synthesis of homoallylic amines. |
Authors of publication | Hopkins, Chad D.; Malinakova, Helena C. |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 26 |
Pages of publication | 5971 - 5974 |
a | 11.1854 ± 0.0015 Å |
b | 34.814 ± 0.005 Å |
c | 7.0886 ± 0.001 Å |
α | 90° |
β | 106.175 ± 0.002° |
γ | 90° |
Cell volume | 2651.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.091 |
Residual factor for significantly intense reflections | 0.0692 |
Weighted residual factors for significantly intense reflections | 0.1483 |
Weighted residual factors for all reflections included in the refinement | 0.1589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/1506310.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.