Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7711395
Preview
| Coordinates | 7711395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H50 B2 F N3 O2 S |
|---|---|
| Calculated formula | C40 H50 B2 F N3 O2 S |
| Title of publication | Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation. |
| Authors of publication | Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2022 |
| a | 14.1748 ± 0.0001 Å |
| b | 13.7748 ± 0.0001 Å |
| c | 19.7539 ± 0.0002 Å |
| α | 90° |
| β | 105.273 ± 0.001° |
| γ | 90° |
| Cell volume | 3720.82 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1441 |
| Weighted residual factors for all reflections included in the refinement | 0.1478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278341 (current) | 2022-10-05 | cif/ Adding structures of 7711390, 7711391, 7711392, 7711393, 7711394, 7711395 via cif-deposit CGI script. |
7711395.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.