Information card for entry 2103131

Structure parameters

• Chemical name: 1,2-Bis-(4'-pyridyl)ethene‒racemic malic acid (1/1)
• Formula: C16 H16 N2 O5
• Calculated formula: C16 H16 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: 4.9566 ± 0.0006 Å
• b: 8.4178 ± 0.001 Å
• c: 9.2538 ± 0.0014 Å
• α: 73.213 ± 0.005°
• β: 89.915 ± 0.006°
• γ: 79.75 ± 0.007°
• Cell volume: 363.24 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1076
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No