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Information card for entry 1552460
Preview
| Coordinates | 1552460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H48 N P3 |
|---|---|
| Calculated formula | C29 H48 N P3 |
| SMILES | P(P(C1CCCCC1)C1CCCCC1)(P(C1CCCCC1)C1CCCCC1)c1ncccc1 |
| Title of publication | Controlled scrambling reactions to polyphosphanes via bond metathesis reactions |
| Authors of publication | Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.06652 ± 0.00011 Å |
| b | 23.601 ± 0.0003 Å |
| c | 10.85205 ± 0.00011 Å |
| α | 90° |
| β | 99.7411 ± 0.001° |
| γ | 90° |
| Cell volume | 2793.48 ± 0.05 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552460.cif |
| 219502 | 2019-10-25 | cif/ Adding structures of 1552459, 1552460, 1552461, 1552462, 1552463, 1552464, 1552465, 1552466, 1552467, 1552468, 1552469, 1552470, 1552471, 1552472, 1552473, 1552474, 1552475, 1552476 via cif-deposit CGI script. |
1552460.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.