Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117833
Preview
Coordinates | 7117833.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H33 N2 O1.5 |
---|---|
Calculated formula | C28 H32 N2 O1.5 |
SMILES | CC(C)c1cccc(c1/N=C\1C(c2ccccc2)(N(c2c1ccc(C)c2)C)O)C(C)C.O |
Title of publication | 3-Aza pi-allyl palladium derived from imino migration in palladium-carbene: MCRs toward multiple substituted indole skeleton |
Authors of publication | Qiang Dai; Yan Jiang; Songjin Guo; Jin-Tao Yu; Jiang Cheng |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 14781 |
a | 25.482 ± 0.004 Å |
b | 11.2723 ± 0.0017 Å |
c | 21.767 ± 0.003 Å |
α | 90° |
β | 124.839 ± 0.003° |
γ | 90° |
Cell volume | 5131.7 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1012 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for significantly intense reflections | 0.2081 |
Weighted residual factors for all reflections included in the refinement | 0.2397 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/7117833.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.