Information card for entry 7246112

Structure parameters

• 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: 8.6285 ± 0.0009 Å
• b: 7.7531 ± 0.0004 Å
• c: 9.4944 ± 0.0005 Å
• α: 90°
• β: 109.104 ± 0.005°
• γ: 90°
• Cell volume: 600.17 ± 0.08 ų
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No