Information card for entry 2011472

Structure parameters

• Chemical name: 2,4,5-Triphenyl-4H-imidazol-4-yl-hydroperoxide dichloromethane solvate (2:1)
• Formula: C43 H34 Cl2 N4 O4
• Calculated formula: C43 H34 Cl2 N4 O4
• SMILES: ClCCl.O(O)C1(N=C(N=C1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2,4,5-Triphenyl-4<i>H</i>-imidazol-4-yl hydroperoxide–dichloromethane (2/1)
• Authors of publication: Hu, Zhi Zhi; Takami, Shizuka; Kimura, Masaru; Tachi, Yoshimitsu; Naruta, Yoshinori
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e465 - e466
• a: 19.519 ± 0.001 Å
• b: 14.269 ± 0.001 Å
• c: 26.068 ± 0.002 Å
• α: 90°
• β: 94.456 ± 0.002°
• γ: 90°
• Cell volume: 7238.4 ± 0.8 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes