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Information card for entry 7240644
Preview
Coordinates | 7240644.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H29 N O5 P2 |
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Calculated formula | C27 H29 N O5 P2 |
SMILES | P(=O)([O-])(C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1.P(=O)(O)(O)c1ccccc1 |
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 | 9.4746 ± 0.0004 Å |
b | 11.3717 ± 0.0005 Å |
c | 23.1551 ± 0.001 Å |
α | 90° |
β | 91.99 ± 0.001° |
γ | 90° |
Cell volume | 2493.28 ± 0.19 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.042 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
7240644.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. |
7240644.cif |
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Users of the data should acknowledge the original authors of the
structural data.