Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160530
Preview
| Coordinates | 7160530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H60 Cl2 N6 O4 |
|---|---|
| Calculated formula | C64 H60 Cl2 N6 O4 |
| Title of publication | Catalytic Asymmetric C-7 Friedel-Crafts Reaction of 4-Aminoindoles: Construction of N-Substituted Quaternary Carbon Atoms |
| Authors of publication | Liu, Shenggui; Ye, Hang; He, Hualing |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.4767 ± 0.0001 Å |
| b | 34.4041 ± 0.0002 Å |
| c | 9.5432 ± 0.0001 Å |
| α | 90° |
| β | 99.537 ± 0.001° |
| γ | 90° |
| Cell volume | 2744.65 ± 0.05 Å3 |
| Cell temperature | 159.99 ± 0.1 K |
| Ambient diffraction temperature | 159.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0415 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299570 (current) | 2025-05-08 | cif/ Adding structures of 7160530 via cif-deposit CGI script. |
7160530.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.