Information card for entry 1577395

Structure parameters

• Formula: C28 H27 B S
• Calculated formula: C28 H27 B S
• Title of publication: Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles
• Authors of publication: Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 14.9556 ± 0.0006 Å
• b: 8.5043 ± 0.0003 Å
• c: 35.3077 ± 0.0013 Å
• α: 90°
• β: 92.61 ± 0.003°
• γ: 90°
• Cell volume: 4486 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No