Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4032896
Preview
Coordinates | 4032896.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H23 N O4 |
---|---|
Calculated formula | C26 H23 N O4 |
SMILES | O1C2(N(OCc3ccccc3)C(=O)C1(C)C)/C(=C/c1ccccc1)Oc1ccccc21 |
Title of publication | [3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones. |
Authors of publication | Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 19 |
Pages of publication | 10680 - 10686 |
a | 11.0525 ± 0.0008 Å |
b | 11.1109 ± 0.0008 Å |
c | 11.4881 ± 0.0008 Å |
α | 115.323 ± 0.007° |
β | 99.995 ± 0.006° |
γ | 110.986 ± 0.007° |
Cell volume | 1097.8 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0717 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.0998 |
Weighted residual factors for all reflections included in the refinement | 0.1154 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
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/4032896.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.