Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246418
Preview
| Coordinates | 7246418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (4R,7aR)-4-methyl-3,7-diphenyl-5,6,7,7a-tetrahydrofuro[2,3-b]pyridin-2(4H)-one |
|---|---|
| Formula | C20 H19 N O2 |
| Calculated formula | C20 H19 N O2 |
| SMILES | O1[C@@H]2N(c3ccccc3)CC[C@H](C2=C(C1=O)c1ccccc1)C |
| Title of publication | Electrochemical dual α,β-C(sp3)–H functionalization of cyclic N-aryl amines |
| Authors of publication | Feng, Tian; Zhu, Zile; Zhang, Dongmei; Wang, Siyi; Li, Ruopu; Zhu, Zhaolin; Zhang, Xinxing; Qiu, Youai |
| Journal of publication | Green Chemistry |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 7 |
| Pages of publication | 2681 - 2689 |
| a | 9.58017 ± 0.00005 Å |
| b | 9.58017 ± 0.00005 Å |
| c | 33.7964 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3101.82 ± 0.04 Å3 |
| Cell temperature | 100.01 ± 0.16 K |
| Ambient diffraction temperature | 100.01 ± 0.16 K |
| Number of distinct elements | 4 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| 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 |
|---|---|---|---|
| 283368 (current) | 2023-05-05 | cif/ Updating files of 7246418 Original log message: Adding full bibliography for 7246418.cif. |
7246418.cif |
| 281791 | 2023-03-10 | cif/ Adding structures of 7246418 via cif-deposit CGI script. |
7246418.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.