Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4037149
Preview
Coordinates | 4037149.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H24 O3 |
---|---|
Calculated formula | C17 H24 O3 |
SMILES | O([C@H]1[C@]23[C@@](COC)(C3)[C@H]3C[C@@H]2[C@H]([C@H](OC)C=C3)C1=C)C |
Title of publication | Ready Access to the Echinopines Skeleton via Gold(I)-Catalyzed Alkoxycyclizations of Enynes. |
Authors of publication | Dorel, Ruth; Echavarren, Antonio M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 18 |
Pages of publication | 8444 - 8454 |
a | 7.7978 ± 0.0018 Å |
b | 12.383 ± 0.003 Å |
c | 15.345 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1481.7 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0319 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0832 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation wavelength | 0.7107 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/4037149.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.