Information card for entry 1505854

Structure parameters

• Formula: C76 H126 N4 Si6
• Calculated formula: C76 H126 N4 Si6
• Title of publication: Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.
• Authors of publication: Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 757 - 760
• a: 38.747 ± 0.002 Å
• b: 13.9582 ± 0.0008 Å
• c: 15.0445 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8136.6 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No