Information card for entry 1568661

Structure parameters

• Formula: C18 H15 N O
• Calculated formula: C18 H15 N O
• Title of publication: Empowering boronic acids as hydroxyl synthons for aryne induced three-component coupling reactions.
• Authors of publication: Fan, Rong; Liu, Shihan; Yan, Qiang; Wei, Yun; Wang, Jingwen; Lan, Yu; Tan, Jiajing
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4278 - 4287
• a: 14.8247 ± 0.0004 Å
• b: 11.5912 ± 0.0003 Å
• c: 15.542 ± 0.0004 Å
• α: 90°
• β: 97.987 ± 0.003°
• γ: 90°
• Cell volume: 2644.77 ± 0.12 ų
• Cell temperature: 112.15 ± 0.1 K
• Ambient diffraction temperature: 112.15 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No