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Information card for entry 7246113
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Coordinates | 7246113.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Glyphosate |
---|---|
Chemical name | N-(Phosphonomethyl)glycine |
Formula | C3 H8 N O5 P |
Calculated formula | C3 H8 N O5 P |
SMILES | C(=O)(O)C[NH2+]CP(=O)(O)[O-] |
Title of publication | Discerning subtle high-pressure phase transitions in glyphosate |
Authors of publication | Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 6 |
Pages of publication | 988 - 997 |
a | 8.5889 ± 0.0009 Å |
b | 7.6517 ± 0.0004 Å |
c | 9.3709 ± 0.0005 Å |
α | 90° |
β | 110.256 ± 0.005° |
γ | 90° |
Cell volume | 577.77 ± 0.08 Å3 |
Cell temperature | 293.15 K |
Ambient diffraction temperature | 293.15 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 | 0.0286 |
Residual factor for significantly intense reflections | 0.0236 |
Weighted residual factors for significantly intense reflections | 0.0601 |
Weighted residual factors for all reflections included in the refinement | 0.0624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.56086 Å |
Diffraction radiation type | AgKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246113.html
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Users of the data should acknowledge the original authors of the
structural data.