Information card for entry 2207592

Structure parameters

• Chemical name: 2-Phenyl-3-[6-(3-phenylquinoxalin-2-yl)dibenzo[b,d]thiophen-3-yl]quinoxaline
• Formula: C40 H24 N4 S
• Calculated formula: C40 H24 N4 S
• SMILES: s1c2c(cc(cc2)c2nc3ccccc3nc2c2ccccc2)c2c1ccc(c2)c1nc2ccccc2nc1c1ccccc1
• Title of publication: 2-Phenyl-3-[6-(3-phenylquinoxalin-2-yl)dibenzo[<i>b</i>,<i>d</i>]thiophen-3-yl]quinoxaline
• Authors of publication: Huang, Tai-Hsiang; Whang, Wha-Tzong; Wen, Yuh-Sheng; Lin, Jiann T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4236 - o4237
• a: 9.9452 ± 0.0007 Å
• b: 11.6962 ± 0.0009 Å
• c: 12.7037 ± 0.0009 Å
• α: 90.48 ± 0.003°
• β: 102.645 ± 0.003°
• γ: 102.501 ± 0.002°
• Cell volume: 1405.27 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0886
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes