Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555846
Preview
Coordinates | 1555846.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H22 O7 |
---|---|
Calculated formula | C22 H22 O7 |
SMILES | O1c2cc3C[C@H]4[C@@H](OC(=O)C4)[C@@H](c3cc2OC1)c1cc(OC)c(OC)c(OC)c1.O1c2cc3C[C@@H]4[C@H](OC(=O)C4)[C@H](c3cc2OC1)c1cc(OC)c(OC)c(OC)c1 |
Title of publication | Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization. |
Authors of publication | Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 19 |
Pages of publication | 5170 - 5173 |
a | 15.8269 ± 0.0002 Å |
b | 5.82087 ± 0.00013 Å |
c | 20.8138 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1917.5 ± 0.06 Å3 |
Cell temperature | 297.9 ± 0.5 K |
Ambient diffraction temperature | 297.9 ± 0.5 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0519 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1437 |
Weighted residual factors for all reflections included in the refinement | 0.1466 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54183 Å |
Diffraction radiation type | CuKα |
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/1555846.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.