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Information card for entry 4127934
Preview
| Coordinates | 4127934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | iso-P4O12(PPN)2*H2O |
|---|---|
| Formula | C72 H62 N2 O12.59 P8 |
| Calculated formula | C72 H62 N2 O12.59 P8 |
| Title of publication | Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles. |
| Authors of publication | Shepard, Scott M.; Cummins, Christopher C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 5 |
| Pages of publication | 1852 - 1856 |
| a | 13.4493 ± 0.0005 Å |
| b | 19.5239 ± 0.0009 Å |
| c | 25.1485 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6603.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.138 |
| Weighted residual factors for all reflections included in the refinement | 0.1571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221092 (current) | 2019-11-02 | cif/ Adding structures of 4127934 via cif-deposit CGI script. |
4127934.cif |
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Users of the data should acknowledge the original authors of the
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