Information card for entry 7124788

Structure parameters

• Formula: C29 H22 O2
• Calculated formula: C29 H22 O2
• Title of publication: Lewis acid catalyzed [2+2] cycloaddition of ynamides and propargyl silyl ethers: synthesis of alkylidenecyclobutenones and their reactivity in ring-opening and ring expansion.
• Authors of publication: Chen, Ling; Cao, Jian; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Xu, Li-Wen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 61
• Pages of publication: 9574 - 9577
• a: 8.5465 ± 0.0017 Å
• b: 11.111 ± 0.002 Å
• c: 12.403 ± 0.003 Å
• α: 109.873 ± 0.002°
• β: 101.743 ± 0.002°
• γ: 90.448 ± 0.002°
• Cell volume: 1080.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No