Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7156595
Preview
Coordinates | 7156595.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H24 N2 O2 |
---|---|
Calculated formula | C31 H24 N2 O2 |
Title of publication | Bisphosphine catalyzed sequential [3 + 2] cycloaddition and Michael addition of ynones with benzylidenepyrazolones via dual α',α'-C(sp<sup>3</sup>)-H bifunctionalization to construct cyclopentanone-fused spiro-pyrazolones. |
Authors of publication | Zhang, Jiayong; Miao, Zhiwei |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 48 |
Pages of publication | 9461 - 9471 |
a | 14.5095 ± 0.0001 Å |
b | 15.4251 ± 0.0001 Å |
c | 22.0039 ± 0.0001 Å |
α | 90° |
β | 107.777 ± 0.001° |
γ | 90° |
Cell volume | 4689.56 ± 0.06 Å3 |
Cell temperature | 294.15 K |
Ambient diffraction temperature | 294.15 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0375 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.1001 |
Weighted residual factors for all reflections included in the refinement | 0.101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7156595.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.