Information card for entry 2203040

Structure parameters

• Common name: Quininium (R,R)-tartrate hydrate
• Chemical name: Quininium (R,R)-tartrate hydrate
• Formula: C44 H56 N4 O11
• Calculated formula: C44 H50 N4 O11
• Title of publication: Bis(quininium) (<i>R</i>,<i>R</i>)-tartrate monohydrate
• Authors of publication: Ryttersgaard, Carsten; Larsen, Sine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o4 - o5
• a: 20.352 ± 0.003 Å
• b: 6.607 ± 0.0016 Å
• c: 15.501 ± 0.002 Å
• α: 90°
• β: 105.58 ± 0.012°
• γ: 90°
• Cell volume: 2007.8 ± 0.6 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes