Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7112906
Preview
Coordinates | 7112906.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H26 O2 |
---|---|
Calculated formula | C19 H26 O2 |
SMILES | C1CCC(=O)[C@H]2CCc3c([C@]12C)ccc(c3OC)C(C)C.C1CCC(=O)[C@@H]2CCc3c([C@@]12C)ccc(c3OC)C(C)C |
Title of publication | Diastereoselective formal total synthesis of (+/-)-triptolide via a novel cationic cyclization of 2-alkenyl-1,3-dithiolane. |
Authors of publication | Goncalves, Sylvie; Hellier, Paul; Nicolas, Marc; Wagner, Alain; Baati, Rachid |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 31 |
Pages of publication | 5778 - 5780 |
a | 19.4535 ± 0.0011 Å |
b | 7.3089 ± 0.0003 Å |
c | 22.1934 ± 0.0012 Å |
α | 90° |
β | 96.279 ± 0.002° |
γ | 90° |
Cell volume | 3136.6 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0863 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1322 |
Weighted residual factors for all reflections included in the refinement | 0.1587 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7112906.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.