Information card for entry 4518957

Structure parameters

• Formula: C18 H13 N O3
• Calculated formula: C18 H13 N O3
• Title of publication: [3 + 2] Cycloaddition of α-Aryl-α-diazoacetates with Terminal Alkynes via the Cooperative Catalysis of Palladium and Acid
• Authors of publication: Guo, Hongyu; Zhang, Sheng; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 10789 - 10795
• a: 31.328 ± 0.002 Å
• b: 6.6752 ± 0.0004 Å
• c: 15.866 ± 0.001 Å
• α: 90°
• β: 118.907 ± 0.002°
• γ: 90°
• Cell volume: 2904.5 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No