Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1548804
Preview
| Coordinates | 1548804.cif |
|---|---|
| Structure factors | 1548804.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde |
|---|---|
| Formula | C40 H28 N3 O10 P3 |
| Calculated formula | C40 H28 N3 O10 P3 |
| Title of publication | 4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde |
| Authors of publication | Hou, Guohui; Zhang, Yumeng; Zhu, Jing; Xiong, Anxian; Wei, Hongliang; Chu, Huijuan |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 12 |
| Pages of publication | x171712 |
| a | 32.3691 ± 0.0016 Å |
| b | 10.7492 ± 0.0002 Å |
| c | 13.1332 ± 0.0007 Å |
| α | 90° |
| β | 125.578 ± 0.007° |
| γ | 90° |
| Cell volume | 3716.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205751 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 1548804 via cif-deposit CGI script. |
1548804.cif 1548804.hkl |
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.