Information card for entry 7239750

Structure parameters

• Formula: C40 H58 O4 Si2
• Calculated formula: C40 H58 O4 Si2
• Title of publication: Thermal [2 + 2]-cycloaddition between silylalkynes and allenylphenols followed by the nucleophilic addition of water: metal-free and economical synthesis of arylcyclobutenals
• Authors of publication: Ohno, Shohei; Avena, Ramon Francisco; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 1220 - 1228
• a: 10.51 ± 0.003 Å
• b: 11.377 ± 0.003 Å
• c: 32.058 ± 0.009 Å
• α: 90°
• β: 93.828 ± 0.007°
• γ: 90°
• Cell volume: 3824.7 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No