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Information card for entry 7125677
Preview
| Coordinates | 7125677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H82 N2 O6 P2 |
|---|---|
| Calculated formula | C52 H82 N2 O6 P2 |
| Title of publication | Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts. |
| Authors of publication | Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | 1341 - 1344 |
| a | 18.3588 ± 0.0005 Å |
| b | 15.6255 ± 0.0003 Å |
| c | 17.7751 ± 0.0005 Å |
| α | 90° |
| β | 95.085 ± 0.001° |
| γ | 90° |
| Cell volume | 5079 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.078 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125677.cif |
| 247617 | 2020-02-04 | cif/ Updating files of 7125674, 7125675, 7125676, 7125677 Original log message: Adding full bibliography for 7125674--7125677.cif. |
7125677.cif |
| 245463 | 2019-12-21 | cif/ Adding structures of 7125674, 7125675, 7125676, 7125677 via cif-deposit CGI script. |
7125677.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.