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Information card for entry 4343313
Preview
| Coordinates | 4343313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H38 N4 O4 P2 S2 |
|---|---|
| Calculated formula | C28 H38 N4 O4 P2 S2 |
| SMILES | C(C)(C)(C)N1P(N(C(C)(C)C)P1(Oc1ccc(C#N)cc1)=S)(Oc1ccc(C#N)cc1)=S.CC(=O)C.CC(=O)C |
| Title of publication | Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes. |
| Authors of publication | Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 13 |
| Pages of publication | 6423 - 6432 |
| a | 9.2567 ± 0.0009 Å |
| b | 12.87 ± 0.0011 Å |
| c | 14.0384 ± 0.0013 Å |
| α | 89.777 ± 0.003° |
| β | 71.683 ± 0.003° |
| γ | 89.002 ± 0.003° |
| Cell volume | 1587.5 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1007 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2403 |
| Weighted residual factors for all reflections included in the refinement | 0.247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4343313.cif |
| 141335 | 2015-07-08 | cif/ Updating files of 4343313, 4343314, 4343315, 4343316, 4343317, 4343318 Original log message: Adding full bibliography for 4343313--4343318.cif. |
4343313.cif |
| 139131 | 2015-06-13 | cif/ Adding structures of 4343313 via cif-deposit CGI script. |
4343313.cif |
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Users of the data should acknowledge the original authors of the
structural data.