Information card for entry 7159095

Structure parameters

• Chemical name: 8a-ok
• Formula: C42 H46 O4 Si
• Calculated formula: C42 H46 O4 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: 11.57 ± 0.0008 Å
• b: 12.6302 ± 0.0008 Å
• c: 15.0893 ± 0.001 Å
• α: 111.575 ± 0.002°
• β: 96.279 ± 0.002°
• γ: 102.106 ± 0.002°
• Cell volume: 1962.3 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No