Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7154124
Preview
Coordinates | 7154124.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H29 F N2 O6 |
---|---|
Calculated formula | C32 H29 F N2 O6 |
SMILES | O=C(OC(C)(C)C)N1C(=O)C(C/C(=C\2c3c(cccc3)N(C2=O)C)C(=O)OC)(c2c1ccc(F)c2)c1ccccc1 |
Title of publication | Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles. |
Authors of publication | Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 46 |
Pages of publication | 9366 |
a | 11.2629 ± 0.0017 Å |
b | 11.9759 ± 0.0019 Å |
c | 12.3346 ± 0.0019 Å |
α | 81.629 ± 0.002° |
β | 68.063 ± 0.002° |
γ | 65.327 ± 0.002° |
Cell volume | 1402.3 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.089 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.1595 |
Weighted residual factors for all reflections included in the refinement | 0.1842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/7154124.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.