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Information card for entry 7227947
Preview
| Coordinates | 7227947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H38 N4 O6 P2 |
|---|---|
| Calculated formula | C30 H38 N4 O6 P2 |
| Title of publication | Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate) |
| Authors of publication | Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 10.4656 ± 0.0004 Å |
| b | 13.8598 ± 0.0005 Å |
| c | 11.2698 ± 0.0004 Å |
| α | 90° |
| β | 110.768 ± 0.001° |
| γ | 90° |
| Cell volume | 1528.48 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194631 (current) | 2017-03-31 | cif/ Adding structures of 7227947, 7227948, 7227949 via cif-deposit CGI script. |
7227947.cif |
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Users of the data should acknowledge the original authors of the
structural data.