Information card for entry 8106776

Structure parameters

• Chemical name: trans-1,2-bis(pyridinium-4-yl)ethylene-2-carboxy-4-methylbenzoate
• Formula: C15 H16 N O4
• Calculated formula: C15 H16 N O4
• Title of publication: Crystal structure of trans-1,2-bis(pyridinium-4-yl)ethylene–2-carboxy-4-methylbenzoate (1/2), C30H26N2O8
• Authors of publication: Jing, Liu; Min-Le, Han
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 31 - 33
• a: 17.567 ± 0.002 Å
• b: 13.1375 ± 0.0017 Å
• c: 13.4212 ± 0.0017 Å
• α: 90°
• β: 124.084 ± 0.001°
• γ: 90°
• Cell volume: 2565.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No