Information card for entry 1507731

Structure parameters

• Formula: C34 H28 Cl N3 O2 S
• Calculated formula: C34 H26 Cl N3 O2 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: 9.394 ± 0.006 Å
• b: 16.031 ± 0.01 Å
• c: 21.988 ± 0.013 Å
• α: 73.431 ± 0.009°
• β: 87.436 ± 0.009°
• γ: 82.031 ± 0.009°
• Cell volume: 3143 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No