Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7126465
Preview
Coordinates | 7126465.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H13 I O4 |
---|---|
Calculated formula | C17 H13 I O4 |
Title of publication | Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins. |
Authors of publication | Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2020 |
Journal volume | 56 |
Journal issue | 49 |
Pages of publication | 6680 - 6683 |
a | 9.5534 ± 0.0003 Å |
b | 9.6302 ± 0.0003 Å |
c | 10.2451 ± 0.0002 Å |
α | 74.922 ± 0.002° |
β | 85.722 ± 0.002° |
γ | 61.931 ± 0.003° |
Cell volume | 801.8 ± 0.05 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0413 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
253819 (current) | 2020-07-06 | cif/ Updating files of 7126465, 7126466, 7126467, 7126468, 7126469, 7126470 Original log message: Adding full bibliography for 7126465--7126470.cif. |
7126465.cif |
251333 | 2020-05-01 | cif/ Adding structures of 7126465, 7126466, 7126467, 7126468, 7126469, 7126470 via cif-deposit CGI script. |
7126465.cif |
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.