Information card for entry 7104534

Structure parameters

• Formula: C21.5 H21 Cl N2
• Calculated formula: C21.5 H21 Cl N2
• Title of publication: AgOTf-catalyzed tandem reaction of N'-(2-alkynylbenzylidene)hydrazide with alkyne.
• Authors of publication: Chen, Zhiyuan; Yang, Xiaodi; Wu, Jie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 3469 - 3471
• a: 11.804 ± 0.0002 Å
• b: 13.1961 ± 0.0003 Å
• c: 23.5991 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3675.96 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2659
• Weighted residual factors for all reflections included in the refinement: 0.3158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No