Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7064069
Preview
| Coordinates | 7064069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18.67 H18.67 B2.67 F5.33 N5.33 O1.33 |
|---|---|
| Calculated formula | C18.6667 H18.6667 B2.66667 F5.33333 N5.33333 O1.33333 |
| Title of publication | Unexpected Formation of α-Formylated BOPHY in the Reaction with Copper Salts |
| Authors of publication | Prasannan, Dijo; Nemykin, Viktor N. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 11.5405 ± 0.0007 Å |
| b | 9.9104 ± 0.0006 Å |
| c | 25.9429 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2967.1 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302945 (current) | 2025-10-17 | cif/ Adding structures of 7064069, 7064070, 7064071, 7064072, 7064073 via cif-deposit CGI script. |
7064069.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.