Information card for entry 1507729

Structure parameters

• Formula: C34 H31 N3 O3 S
• Calculated formula: C34 H31 N3 O3 S
• Title of publication: Silver Triflate and Palladium Acetate Co-catalyzed Reaction of N'-(2-Alkynylbenzylidene)hydrazide with N-Allyl Ynamide.
• Authors of publication: Huang, Ping; Chen, Zhiyuan; Yang, Qin; Peng, Yiyuan
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2790 - 2793
• a: 10.193 ± 0.004 Å
• b: 19.516 ± 0.007 Å
• c: 15.403 ± 0.005 Å
• α: 90°
• β: 99.406 ± 0.005°
• γ: 90°
• Cell volume: 3022.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No