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Information card for entry 7240643
Preview
Coordinates | 7240643.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5 H10 N O6 P |
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Calculated formula | C5 H10 N O6 P |
SMILES | P(=O)([O-])C[NH+](CC(=O)O)CC(=O)O |
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 | 5.1523 ± 0.0006 Å |
b | 7.4078 ± 0.0009 Å |
c | 11.8502 ± 0.0014 Å |
α | 101.004 ± 0.005° |
β | 95.811 ± 0.005° |
γ | 103.446 ± 0.005° |
Cell volume | 426.75 ± 0.09 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0345 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0798 |
Weighted residual factors for all reflections included in the refinement | 0.0821 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
258120 (current) | 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. |
7240643.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. |
7240643.cif |
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Users of the data should acknowledge the original authors of the
structural data.