Information card for entry 1505853

Structure parameters

• Formula: C54 H84 N4 O2 Si4
• Calculated formula: C54 H84 N4 O2 Si4
• SMILES: [Si](C#Cc1nc2C(=O)c3nc(c(nc3C(=O)c2nc1C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)(C(C)C)C(C)C
• 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: 12.3888 ± 0.0007 Å
• b: 12.427 ± 0.0007 Å
• c: 12.5757 ± 0.0007 Å
• α: 69.343 ± 0.001°
• β: 60.607 ± 0.001°
• γ: 61.71 ± 0.001°
• Cell volume: 1467.06 ± 0.14 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No