Information card for entry 2217493

Structure parameters

• Chemical name: (4a<i>R</i>,8a<i>R</i>)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline
• Formula: C20 H20 N2
• Calculated formula: C20 H20 N2
• SMILES: [C@@H]12CCCC[C@H]1N=C(c1ccccc1)C(=N2)c1ccccc1
• Title of publication: (4a<i>R</i>,8a<i>R</i>)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline
• Authors of publication: Wang, Guo-Xi; Ye, Heng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o359 - o359
• a: 5.6253 ± 0.0011 Å
• b: 15.402 ± 0.003 Å
• c: 18.315 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1586.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes