Information card for entry 1577393

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: 12.1969 ± 0.0005 Å
• b: 9.4547 ± 0.0004 Å
• c: 19.6469 ± 0.0007 Å
• α: 90°
• β: 94.155 ± 0.003°
• γ: 90°
• Cell volume: 2259.69 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No