Information card for entry 7120862

Structure parameters

• Formula: C55 H64 Cl2 N2 O4 Si2
• Calculated formula: C55 H64 Cl2 N2 O4 Si2
• Title of publication: Gold-Catalyzed [2+2+2+2]-Annulation of 1,3,5-Hexahydro-1,3,5-triazines with Alkoxyallenes
• Authors of publication: Peng, Shiyong; Ji, Danqing; Sun, Jiangtao
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 10.896 ± 0.0015 Å
• b: 16.695 ± 0.002 Å
• c: 17.021 ± 0.002 Å
• α: 67.382 ± 0.003°
• β: 72.653 ± 0.003°
• γ: 83.435 ± 0.003°
• Cell volume: 2728.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2844
• Weighted residual factors for all reflections included in the refinement: 0.3307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No