Information card for entry 2235482

Structure parameters

• Chemical name: (4a<i>R</i>*,8a<i>S</i>*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline
• Formula: C20 H20 N2
• Calculated formula: C20 H20 N2
• SMILES: N1=C(C(=N[C@H]2[C@@H]1CCCC2)c1ccccc1)c1ccccc1
• Title of publication: (4a<i>R</i>*,8a<i>S</i>*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline
• Authors of publication: Chen, W.; Tang, K.-S.; Fan, L.-Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2212
• a: 6.3546 ± 0.0001 Å
• b: 13.4894 ± 0.0002 Å
• c: 19.1921 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1645.14 ± 0.04 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: 0.0359
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes