Information card for entry 7159094

Structure parameters

• Formula: C32 H39 N O2 S Si
• Calculated formula: C32 H39 N O2 S Si
• Title of publication: Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.
• Authors of publication: Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2715 - 2719
• a: 10.123 ± 0.0006 Å
• b: 11.5763 ± 0.0008 Å
• c: 14.0706 ± 0.0009 Å
• α: 89.032 ± 0.002°
• β: 77.087 ± 0.002°
• γ: 80.029 ± 0.002°
• Cell volume: 1582.51 ± 0.18 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1248
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No