Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518028
Preview
| Coordinates | 4518028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H50 O6 P2 |
|---|---|
| Calculated formula | C48 H50 O6 P2 |
| Title of publication | Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. |
| Authors of publication | Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro |
| Journal of publication | ACS omega |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 37 |
| Pages of publication | 23621 - 23630 |
| a | 11.6696 ± 0.0003 Å |
| b | 12.2099 ± 0.0003 Å |
| c | 16.0856 ± 0.0004 Å |
| α | 78.793 ± 0.002° |
| β | 71.385 ± 0.002° |
| γ | 77.94 ± 0.002° |
| Cell volume | 2103.86 ± 0.1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0591 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257063 (current) | 2020-10-04 | cif/ Updating files of 4518025, 4518026, 4518027, 4518028, 4518029, 4518030 Original log message: Adding full bibliography for 4518025--4518030.cif. |
4518028.cif |
| 256262 | 2020-09-10 | cif/ Adding structures of 4518028 via cif-deposit CGI script. |
4518028.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.