Information card for entry 2218065

Structure parameters

• Chemical name: (2<i>S</i>,4a<i>R</i>,3<i>S</i>,8a<i>R</i>,9<i>R</i>,10<i>R</i>)- 1,4-Diallyl-2,3-diphenylperhydroquinoxaline
• Formula: C26 H32 N2
• Calculated formula: C26 H32 N2
• SMILES: [C@@H]12CCCC[C@H]1N(CC=C)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2CC=C
• Title of publication: (2<i>S</i>,4a<i>R</i>,3<i>S</i>,8a<i>R</i>,9<i>R</i>,10<i>R</i>)-1,4-Diallyl-2,3-diphenylperhydroquinoxaline
• Authors of publication: Chen, Fang; Ye, Heng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o907
• a: 6.509 ± 0.004 Å
• b: 17.437 ± 0.01 Å
• c: 19.757 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2242 ± 2 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: 0.071
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes