Information card for entry 8107176

Structure parameters

• Formula: C26 H24 N2 O8
• Calculated formula: C26 H24 N2 O8
• Title of publication: The crystal structure of 4,4′-bipyridinium bis-(2-hydroxy-3-methoxybenzoate), 2(C8H7.68O4)·C10H8.64N2
• Authors of publication: Angevine, Devin J.; Benedict, Jason B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 643 - 645
• a: 6.917 ± 0.0009 Å
• b: 26.012 ± 0.003 Å
• c: 12.7449 ± 0.0017 Å
• α: 90°
• β: 91.896 ± 0.004°
• γ: 90°
• Cell volume: 2291.9 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No