Information card for entry 2107466

Structure parameters

• Common name: ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal
• Chemical name: ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate
• Formula: C5 H14 N O6 P
• Calculated formula: C5 H14 N O5.9999 P
• Title of publication: Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state
• Authors of publication: Ślepokura, Katarzyna Anna
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 117 - 125
• a: 11.39 ± 0.004 Å
• b: 6.862 ± 0.002 Å
• c: 12.216 ± 0.005 Å
• α: 90°
• β: 97.86 ± 0.03°
• γ: 90°
• Cell volume: 945.8 ± 0.6 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No