Information card for entry 2007963

Structure parameters

• Chemical name: tris[tris{(2-hydroxymethyl)methyl}ammonium] D-3-phosphoglycerate
• Formula: C15 H40 N3 O16 P
• Calculated formula: C15 H40 N3 O16 P
• Title of publication: Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K
• Authors of publication: Jerzykiewicz, Lucjan B.; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 2015 - 2019
• a: 6.416 ± 0.003 Å
• b: 10.109 ± 0.004 Å
• c: 10.2 ± 0.004 Å
• α: 109.8 ± 0.04°
• β: 103.93 ± 0.04°
• γ: 95.95 ± 0.03°
• Cell volume: 591.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.082
• Goodness-of-fit parameter for all reflections: 1.128
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No