Information card for entry 4508701

Structure parameters

• Chemical name: 1H-Imidazole, 2,2'-(2,5-thiophenediyl)bis[1-methyl-4,5-diphenyl]
• Formula: C36 H28 N4 S
• Calculated formula: C36 H28 N4 S
• SMILES: n1c(c2sc(c3nc(c(c4ccccc4)n3C)c3ccccc3)cc2)n(c(c2ccccc2)c1c1ccccc1)C
• Title of publication: Structures and Chromogenic Properties of Bisimidazole Derivatives
• Authors of publication: Fridman, N.; Speiser, S.; Kaftory, M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1653
• a: 23.728 ± 0.005 Å
• b: 9.962 ± 0.002 Å
• c: 12.387 ± 0.002 Å
• α: 90°
• β: 104.43 ± 0.02°
• γ: 90°
• Cell volume: 2835.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No