Information card for entry 7105604

Structure parameters

• Formula: C6 H15 Na2 O11 P
• Calculated formula: C6 H15 Na2 O11 P
• SMILES: P(=O)([O-])([C@](O)(C(=O)[O-])C)[C@@](O)(C(=O)O)C.[Na+].[Na+].O.O.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: 6.2983 ± 0.0009 Å
• b: 9.0885 ± 0.0012 Å
• c: 11.621 ± 0.0014 Å
• α: 91.799 ± 0.005°
• β: 92.303 ± 0.006°
• γ: 95.488 ± 0.006°
• Cell volume: 661.21 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.021
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No