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Information card for entry 4517654
Preview
| Coordinates | 4517654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H26 O2 P2 Se4 |
|---|---|
| Calculated formula | C28 H26 O2 P2 Se4 |
| Title of publication | Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. |
| Authors of publication | Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek |
| Journal of publication | ACS omega |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 20 |
| Pages of publication | 11737 - 11744 |
| a | 7.801 ± 0.004 Å |
| b | 12.152 ± 0.006 Å |
| c | 15.317 ± 0.008 Å |
| α | 90° |
| β | 102.595 ± 0.014° |
| γ | 90° |
| Cell volume | 1417.1 ± 1.3 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0893 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1573 |
| Weighted residual factors for all reflections included in the refinement | 0.1738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4517654.cif |
| 252592 | 2020-06-04 | cif/ Updating files of 4517654, 4517655, 4517656, 4517657, 4517658, 4517659, 4517660, 4517661 Original log message: Adding full bibliography for 4517654--4517661.cif. |
4517654.cif |
| 252018 | 2020-05-13 | cif/ Adding structures of 4517654, 4517655, 4517656, 4517657, 4517658, 4517659, 4517660, 4517661 via cif-deposit CGI script. |
4517654.cif |
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Users of the data should acknowledge the original authors of the
structural data.