Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7159130
Preview
| Coordinates | 7159130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H20 O3 |
|---|---|
| Calculated formula | C13 H20 O3 |
| Title of publication | Synthesis of the ABC ring system of kadlongilactones. |
| Authors of publication | Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2023 |
| Journal volume | 21 |
| Journal issue | 8 |
| Pages of publication | 1704 - 1708 |
| a | 5.4722 ± 0.0005 Å |
| b | 12.8218 ± 0.0009 Å |
| c | 8.8354 ± 0.0009 Å |
| α | 90° |
| β | 105.364 ± 0.01° |
| γ | 90° |
| Cell volume | 597.77 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0767 |
| Weighted residual factors for significantly intense reflections | 0.2031 |
| Weighted residual factors for all reflections included in the refinement | 0.2065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| 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 |
|---|---|---|---|
| 281556 (current) | 2023-03-04 | cif/ Updating files of 7159130, 7159131, 7159132, 7159133, 7159134, 7159135, 7159136, 7159137 Original log message: Adding full bibliography for 7159130--7159137.cif. |
7159130.cif |
| 280719 | 2023-02-01 | cif/ Adding structures of 7159130, 7159131, 7159132, 7159133, 7159134, 7159135, 7159136, 7159137 via cif-deposit CGI script. |
7159130.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.