Information card for entry 8106978

Structure parameters

• Formula: C26 H24 N4 O5
• Calculated formula: C26 H24 N4 O5
• Title of publication: Crystal structure of 2-[4-(1H-imidazol-1-yl)phenyl]-1H-benzimidazol-3-ium [2-(carboxymethyl)phenyl]acetate monohydrate, C26H24N4O5
• Authors of publication: Guang-Zhen, Liu; Xin-Wei, Li; Yun-Ping, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 689 - 691
• a: 8.0382 ± 0.0005 Å
• b: 10.0185 ± 0.0006 Å
• c: 15.2333 ± 0.0009 Å
• α: 81.853 ± 0.002°
• β: 76.189 ± 0.002°
• γ: 84.7 ± 0.002°
• Cell volume: 1177.07 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No