Information card for entry 2005483

Structure parameters

• Chemical name: (3RS,6SR)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: COC1=N[C@@H](c2ccccc2)C(=N[C@@H]1c1ccccc1)OC
• Title of publication: <i>trans</i>- and <i>cis</i>-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine
• Authors of publication: Benecke, B.; Bolte, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2586 - 2588
• a: 21.519 ± 0.003 Å
• b: 5.5068 ± 0.0004 Å
• c: 16.422 ± 0.002 Å
• α: 90°
• β: 128.692 ± 0.012°
• γ: 90°
• Cell volume: 1518.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.1366
• Weighted residual factors for significantly intense reflections: 0.1079
• Goodness-of-fit parameter for all reflections: 1.11
• Goodness-of-fit parameter for significantly intense reflections: 1.175
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No