Information card for entry 2242432

Structure parameters

• Chemical name: 2,3-Bis(4-methylphenyl)benzo[<i>g</i>]quinoxaline
• Formula: C26 H20 N2
• Calculated formula: C26 H20 N2
• SMILES: n1c(c(nc2cc3ccccc3cc12)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Crystal structure of 2,3-bis(4-methylphenyl)benzo[<i>g</i>]quinoxaline
• Authors of publication: Kim, Young-Inn; Yun, Seong-Jae; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• Pages of publication: 548 - 550
• a: 6.0814 ± 0.0001 Å
• b: 21.5212 ± 0.0004 Å
• c: 14.8312 ± 0.0003 Å
• α: 90°
• β: 91.2496 ± 0.0011°
• γ: 90°
• Cell volume: 1940.63 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes