Information card for entry 7106377

Structure parameters

• Formula: C32.5 H32 N2 O5.5 S
• Calculated formula: C32.5 H30 N2 O5.5 S
• Title of publication: Diversity-oriented approach to 1,2-dihydroisoquinolin-3(4H)-imines via copper(I)-catalyzed reaction of (E)-2-ethynylphenylchalcone, sulfonyl azide and amine
• Authors of publication: Zhiyuan Chen; Chao Ye; Liang Gao; Jie Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5623
• a: 24.277 ± 0.01 Å
• b: 10.347 ± 0.004 Å
• c: 23.279 ± 0.01 Å
• α: 90°
• β: 99.37 ± 0.005°
• γ: 90°
• Cell volume: 5770 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0879
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No