Information card for entry 4507807

Structure parameters

• Common name: D-prolinium cocrystal of fumaric acid
• Chemical name: R-pyrrolidinium-2-carboxylate(2E)-but-2-enedioate (1:1)
• Formula: C14 H22 N2 O8
• Calculated formula: C14 H22 N2 O8
• Title of publication: Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons
• Authors of publication: Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2373
• a: 9.583 ± 0.001 Å
• b: 9.037 ± 0.001 Å
• c: 10.179 ± 0.001 Å
• α: 90°
• β: 110.837 ± 0.009°
• γ: 90°
• Cell volume: 823.86 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No