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Information card for entry 4127933
Preview
| Coordinates | 4127933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H49 N2 O9 P5 |
|---|---|
| Calculated formula | C43 H49 N2 O9 P5 |
| 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 | 32.577 ± 0.002 Å |
| b | 9.197 ± 0.0006 Å |
| c | 14.4155 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4319 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221091 (current) | 2019-11-02 | cif/ Adding structures of 4127933 via cif-deposit CGI script. |
4127933.cif |
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Users of the data should acknowledge the original authors of the
structural data.