Information card for entry 7105605

Structure parameters

• Formula: C12 H24 N O7 P
• Calculated formula: C12 H24 N O7 P
• SMILES: P1(=O)([O-])[C@@](C(=O)O[C@@]1(C)C(=O)O)(O)C.[NH+](CC)(CC)CC.P1(=O)([O-])[C@](C(=O)O[C@]1(C)C(=O)O)(O)C.[NH+](CC)(CC)CC
• 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: 6.8028 ± 0.0008 Å
• b: 10.2088 ± 0.0013 Å
• c: 12.2089 ± 0.0016 Å
• α: 81.041 ± 0.006°
• β: 86.642 ± 0.006°
• γ: 87.114 ± 0.006°
• Cell volume: 835.38 ± 0.18 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: 0.0532
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No