Information card for entry 1519957

Structure parameters

• Chemical name: 1,3-Diammoniumpropane L-tartrate
• Formula: C7 H16 N2 O6
• Calculated formula: C7 H16 N2 O6
• Title of publication: 1,3-Diammoniumpropane L-tartrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 584
• a: 9.4109 ± 0.0012 Å
• b: 8.7365 ± 0.0011 Å
• c: 12.4478 ± 0.0014 Å
• α: 90°
• β: 102.099 ± 0.009°
• γ: 90°
• Cell volume: 1000.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No