Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1502123
Preview
Coordinates | 1502123.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H26 Cl2 N O6 P |
---|---|
Calculated formula | C33 H26 Cl2 N O6 P |
SMILES | C1(=O)C(C(=C(c2ccc(cc2)N(=O)=O)O1)/C=C/C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl |
Title of publication | Three-component and nonclassical reaction of phosphines with enynes and aldehydes: formation of γ-lactones featuring α-phosphorus ylides. |
Authors of publication | Deng, Jie-Cheng; Chuang, Shih-Ching |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 9 |
Pages of publication | 2248 - 2251 |
a | 10.5159 ± 0.0007 Å |
b | 12.1257 ± 0.0008 Å |
c | 12.5652 ± 0.0008 Å |
α | 86.115 ± 0.001° |
β | 75.775 ± 0.001° |
γ | 74.108 ± 0.001° |
Cell volume | 1493.73 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.053 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/1502123.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.