Information card for entry 1557267

Structure parameters

• Formula: C16 H28 N4
• Calculated formula: C16 N4
• SMILES: C[C@@]12CC3=NC(C)(C)CN[C@@]3(C)CC1=NC(C)(C)CN2
• Title of publication: Structural Determination of a Dimeric Side-Product Accompanying Dihydropyrazine Preparation
• Authors of publication: Gopal, Damodaragounder; Macikenas, Dainius; Sayre, Lawrence M.; Protasiewicz, John D.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 938 - 941
• a: 12.09 ± 0.001 Å
• b: 12.09 ± 0.001 Å
• c: 22.007 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3216.7 ± 0.6 ų
• Ambient diffraction temperature: 288 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No