Information card for entry 2207513

Structure parameters

• Chemical name: 2,8-Bis(3-phenylquinoxalin-2-yl)-5λ^6^-dibenzo[b,d]thiophene-5,5-dione
• Formula: C40 H24 N4 O2 S
• Calculated formula: C40 H24 N4 O2 S
• SMILES: S1(=O)(=O)c2ccc(cc2c2c1ccc(c2)c1nc2ccccc2nc1c1ccccc1)c1nc2ccccc2nc1c1ccccc1
• Title of publication: 2,8-Bis(3-phenylquinoxalin-2-yl)-5λ^6^-dibenzo[<i>b</i>,<i>d</i>]thiophene-5,5-dione
• Authors of publication: Tai-Hsiang Huang; Wha-Tzong Whang; Yuh-Sheng Wen; Jiann T. Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4126 - o4127
• a: 10.7261 ± 0.0003 Å
• b: 12.0606 ± 0.0004 Å
• c: 13.4213 ± 0.0004 Å
• α: 107.719 ± 0.002°
• β: 103.656 ± 0.002°
• γ: 108.751 ± 0.002°
• Cell volume: 1454.81 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes