Information card for entry 2233383

Structure parameters

• Chemical name: 2-Phenylthieno[2,3-<i>b</i>]quinoxaline
• Formula: C16 H10 N2 S
• Calculated formula: C16 H10 N2 S
• SMILES: c1ccc(cc1)c1cc2c(s1)nc1c(n2)cccc1
• Title of publication: 2-Phenylthieno[2,3-<i>b</i>]quinoxaline
• Authors of publication: Ramli, Youssef; Zouihri, Hafid; Azougagh, Mohamed; Moussaif, Ahmed; Essassi, El Mokhtar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o396
• a: 6.3875 ± 0.0003 Å
• b: 16.2896 ± 0.0008 Å
• c: 11.6054 ± 0.0006 Å
• α: 90°
• β: 96.039 ± 0.003°
• γ: 90°
• Cell volume: 1200.84 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes