Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160400
Preview
| Coordinates | 7160400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H26 F N3 O |
|---|---|
| Calculated formula | C22 H26 F N3 O |
| Title of publication | A one-pot multicomponent tandem reaction for the rapid synthesis of 2-amino-3-benzylindoles. |
| Authors of publication | Zhang, Pengyan; Liu, Chenrui; Dai, Maoyi; Wang, Guangyue; Huang, Yurong; Zhang, Lina; Liu, Cheng; He, Chengjie; Zhang, Xiaoxiang; Zhang, Zhuan; Liang, Taoyuan |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 14 |
| Pages of publication | 3393 - 3399 |
| a | 11.1055 ± 0.0004 Å |
| b | 12.5847 ± 0.0006 Å |
| c | 16.5079 ± 0.0007 Å |
| α | 108.227 ± 0.004° |
| β | 91.024 ± 0.003° |
| γ | 113.106 ± 0.004° |
| Cell volume | 1989.3 ± 0.17 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1458 |
| Weighted residual factors for all reflections included in the refinement | 0.1573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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 |
|---|---|---|---|
| 299054 (current) | 2025-04-05 | cif/ Updating files of 7160400 Original log message: Adding full bibliography for 7160400.cif. |
7160400.cif |
| 298300 | 2025-03-06 | cif/ Adding structures of 7160400 via cif-deposit CGI script. |
7160400.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.