Information card for entry 2103127

Structure parameters

• Chemical name: 4,4'-Bipyridyl‒(S)-malic acid (1/1),triclinic polymorph
• Formula: C14 H14 N2 O5
• Calculated formula: C14 H14 N2 O5
• Title of publication: Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines
• Authors of publication: Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 530 - 544
• a: 5.1647 ± 0.0004 Å
• b: 6.2749 ± 0.0005 Å
• c: 10.2126 ± 0.0009 Å
• α: 83.235 ± 0.003°
• β: 89.808 ± 0.003°
• γ: 79.601 ± 0.003°
• Cell volume: 323.21 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No