Information card for entry 2103128

Structure parameters

• Chemical name: 4,4'-Bipyridyl‒(S)-malic acid (1/1), monoclinic polymorph
• Formula: C28 H28 N4 O10
• Calculated formula: C28 H28 N4 O10
• 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: 20.5 ± 0.004 Å
• b: 4.6656 ± 0.0009 Å
• c: 14.201 ± 0.003 Å
• α: 90°
• β: 99.68 ± 0.03°
• γ: 90°
• Cell volume: 1338.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No