Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547300
Preview
Coordinates | 1547300.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H28 O3 Si |
---|---|
Calculated formula | C18 H28 O3 Si |
SMILES | O=C1CC[C@H]2[C@@]31CC(=O)[C@@](C2)(C(=C)C3)O[Si](C)(C)C(C)(C)C.O=C1CC[C@@H]2[C@]31CC(=O)[C@](C2)(C(=C)C3)O[Si](C)(C)C(C)(C)C |
Title of publication | Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons. |
Authors of publication | Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 19 |
Pages of publication | 5324 - 5327 |
a | 19.273 ± 0.007 Å |
b | 7.63 ± 0.003 Å |
c | 12.384 ± 0.005 Å |
α | 90° |
β | 100.001 ± 0.01° |
γ | 90° |
Cell volume | 1793.4 ± 1.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1088 |
Residual factor for significantly intense reflections | 0.0875 |
Weighted residual factors for significantly intense reflections | 0.2212 |
Weighted residual factors for all reflections included in the refinement | 0.2375 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/1547300.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.