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Information card for entry 7240651
Preview
| Coordinates | 7240651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H12 N O2 P |
|---|---|
| Calculated formula | C8 H12 N O2 P |
| SMILES | P(=O)([O-])C[NH2+]Cc1ccccc1 |
| Title of publication | Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction |
| Authors of publication | Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 36 |
| Pages of publication | 21329 - 21349 |
| a | 10.4097 ± 0.0004 Å |
| b | 6.3878 ± 0.0003 Å |
| c | 27.1688 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1806.59 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
7240651.cif |
| 258120 | 2020-10-06 | cif/ Updating files of 7240636, 7240637, 7240638, 7240639, 7240640, 7240641, 7240642, 7240643, 7240644, 7240645, 7240646, 7240647, 7240648, 7240649, 7240650, 7240651, 7240652, 7240653 Original log message: Adding full bibliography for 7240636--7240653.cif. |
7240651.cif |
| 252669 | 2020-06-05 | cif/ Adding structures of 7240636, 7240637, 7240638, 7240639, 7240640, 7240641, 7240642, 7240643, 7240644, 7240645, 7240646, 7240647, 7240648, 7240649, 7240650, 7240651, 7240652, 7240653 via cif-deposit CGI script. |
7240651.cif |
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Users of the data should acknowledge the original authors of the
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