Information card for entry 2005484

Structure parameters

• Chemical name: (3RS,6RS)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: N1=C([C@H](N=C([C@H]1c1ccccc1)OC)c1ccccc1)OC.N1=C([C@@H](N=C([C@@H]1c1ccccc1)OC)c1ccccc1)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: 15.7468 ± 0.0004 Å
• b: 17.3677 ± 0.0005 Å
• c: 11.5306 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3153.45 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.102
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No