Information card for entry 1552355

Structure parameters

• Common name: 1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione [+solvent]
• Chemical name: 5,11-Disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-\ tetraazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-diene-2,8-dione [+solvent]
• Formula: C44 H44 N4 O2 S2
• Calculated formula: C44 H44 N4 O2 S2
• Title of publication: 1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione
• Authors of publication: Selvakumar, Jayaraman; Arumugam, Kuppuswamy
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 9
• Pages of publication: x191268
• a: 18.1038 ± 0.0011 Å
• b: 18.1038 ± 0.0011 Å
• c: 18.1038 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5933.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes