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Information card for entry 7240772
Preview
| Coordinates | 7240772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H20 N O5 P |
|---|---|
| Calculated formula | C14 H20 N O5 P |
| SMILES | P(=O)(OCC)(OCC)C(=C)NC(=O)OCc1ccccc1 |
| Title of publication | A novel approach for obtaining α,β-diaminophosphonates bearing structurally diverse side chains and their interactions with transition metal ions studied by ITC |
| Authors of publication | Lenartowicz, Paweł; Witkowska, Danuta; Żyszka-Haberecht, Beata; Dziuk, Błażej; Ejsmont, Krzysztof; Świątek-Kozłowska, Jolanta; Kafarski, Paweł |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 40 |
| Pages of publication | 24045 - 24056 |
| a | 10.7418 ± 0.0003 Å |
| b | 10.043 ± 0.0002 Å |
| c | 14.6765 ± 0.0004 Å |
| α | 90° |
| β | 104.329 ± 0.003° |
| γ | 90° |
| Cell volume | 1534.04 ± 0.07 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240772.cif |
| 258085 | 2020-10-06 | cif/ Updating files of 7240772, 7240773 Original log message: Adding full bibliography for 7240772--7240773.cif. |
7240772.cif |
| 253391 | 2020-06-24 | cif/ Adding structures of 7240772, 7240773 via cif-deposit CGI script. |
7240772.cif |
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Users of the data should acknowledge the original authors of the
structural data.