Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7118087
Preview
Coordinates | 7118087.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H25 N |
---|---|
Calculated formula | C22 H25 N |
SMILES | c12c(cccc2CCCC21c1cc(C(C)(C)C)ccc1N=C2)C |
Title of publication | Palladium-catalyzed dearomative cyclization by a norbornene-mediated sequence: a route to spiroindolenine derivatives |
Authors of publication | Xin-Xing Wu; Yi Shen; Wen-Long Chen; Si Chen; Peng-Fei Xu; Yong-Min Liang |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 16798 |
a | 8.363 ± 0.0006 Å |
b | 16.4293 ± 0.0008 Å |
c | 25.672 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3527.3 ± 0.4 Å3 |
Cell temperature | 294.76 ± 0.1 K |
Ambient diffraction temperature | 294.76 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0898 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1695 |
Weighted residual factors for all reflections included in the refinement | 0.2038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7118087.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.