Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7235431
Preview
| Coordinates | 7235431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H50 F N3 O6 |
|---|---|
| Calculated formula | C30 H50 F N3 O6 |
| Title of publication | A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride |
| Authors of publication | Tarai, Arup; Baruah, Jubaraj B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 11 |
| Pages of publication | 2301 |
| a | 9.5189 ± 0.0007 Å |
| b | 9.4321 ± 0.0007 Å |
| c | 18.7965 ± 0.0014 Å |
| α | 90° |
| β | 101.203 ± 0.004° |
| γ | 90° |
| Cell volume | 1655.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232779 (current) | 2019-11-23 | cif/ Adding structures of 7235429, 7235430, 7235431 via cif-deposit CGI script. |
7235431.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.