Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7134994
Preview
| Coordinates | 7134994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H22 O4 |
|---|---|
| Calculated formula | C28 H22 O4 |
| Title of publication | Remote asymmetric conjugate addition of naphthoquinone methides: constructing adjacent tertiary-quaternary carbon stereocenters |
| Authors of publication | Zhai, Jing-Jing; Lou, Shao-Jie; Zhang, Xiaoxiao; Lan, Qiu-Yi; Jing, Cheng-Cheng; Mao, Yang-Jie; Wang, Yifeng; Chu, Mingming; Xu, Dan-Qian |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 11.628 ± 0.0005 Å |
| b | 15.6621 ± 0.0008 Å |
| c | 12.0951 ± 0.0005 Å |
| α | 90° |
| β | 97.484 ± 0.002° |
| γ | 90° |
| Cell volume | 2183.98 ± 0.17 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 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 | 0.0514 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302171 (current) | 2025-09-18 | cif/ Adding structures of 7134992, 7134993, 7134994 via cif-deposit CGI script. |
7134994.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.