Information card for entry 7159765

Structure parameters

• Formula: C44 H50 B O4 P
• Calculated formula: C44 H50 B O4 P
• Title of publication: Towards tetrasubstituted furans through rearrangement and cyclodimerization of acetylenic ketones
• Authors of publication: Dai, Zhenyun; Xu, Chenyong; Tian, Rongqiang; Duan, Zheng
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 1172 - 1175
• a: 10.982 ± 0.002 Å
• b: 15.999 ± 0.003 Å
• c: 21.423 ± 0.004 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 3764 ± 1.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0453
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No