Information card for entry 1519976

Structure parameters

• Chemical name: Pyrrolidinium DL-tartrate dihydrate
• Formula: C8 H19 N O8
• Calculated formula: C8 H19 N O8
• SMILES: C(=O)([C@H]([C@@H](C(=O)O)O)O)[O-].C1CCC[NH2+]1.O.O.C(=O)([C@@H]([C@H](C(=O)O)O)O)[O-].C1CCC[NH2+]1.O.O
• Title of publication: Pyrrolidinium DL-tartrate dihydrate
• 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: 587
• a: 7.267 ± 0.0045 Å
• b: 7.3373 ± 0.0036 Å
• c: 11.6052 ± 0.0051 Å
• α: 106.343 ± 0.045°
• β: 101.093 ± 0.043°
• γ: 93.796 ± 0.058°
• Cell volume: 577.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No