Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572781
Preview
| Coordinates | 1572781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H45 O7 P |
|---|---|
| Calculated formula | C45 H45 O7 P |
| Title of publication | Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications. |
| Authors of publication | Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 35 |
| Pages of publication | 14406 - 14414 |
| a | 6.8013 ± 0.0013 Å |
| b | 13.832 ± 0.003 Å |
| c | 20.961 ± 0.004 Å |
| α | 102.003 ± 0.005° |
| β | 99.318 ± 0.006° |
| γ | 98.164 ± 0.007° |
| Cell volume | 1871.6 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.19 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.2388 |
| Weighted residual factors for all reflections included in the refinement | 0.3356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295044 (current) | 2024-10-04 | cif/ Adding structures of 1572779, 1572780, 1572781 via cif-deposit CGI script. |
1572781.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.