Information card for entry 7124787

Structure parameters

• Formula: C33 H31 N O
• Calculated formula: C33 H31 N O
• 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: 9.688 ± 0.003 Å
• b: 9.724 ± 0.003 Å
• c: 14.142 ± 0.004 Å
• α: 92.269 ± 0.009°
• β: 93.742 ± 0.009°
• γ: 99.428 ± 0.009°
• Cell volume: 1309.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2243
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No