Information card for entry 7105606

Structure parameters

• Common name: 2-hydroxyphosphinoylpropionic acid, sodium salt
• Chemical name: 2-hydroxyphosphinoylpropionic acid, sodium salt
• Formula: C3 H8 Na O6 P
• Calculated formula: C3 H8 Na O6 P
• SMILES: P(=O)(C(C(=O)O)(O)C)[O-].[Na+].O
• Title of publication: On the prebiotic potential of reduced oxidation state phosphorus: the H-phosphinate-pyruvate system.
• Authors of publication: Bryant, David E.; Marriott, Katie E. R.; Macgregor, Stuart A.; Kilner, Colin; Pasek, Matthew A.; Kee, Terence P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 3726 - 3728
• a: 6.0112 ± 0.0012 Å
• b: 9.5047 ± 0.0019 Å
• c: 12.665 ± 0.003 Å
• α: 90°
• β: 93.49 ± 0.03°
• γ: 90°
• Cell volume: 722.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No