Information card for entry 7116342

Structure parameters

• Formula: C37 H37 N5 O4 S
• Calculated formula: C37 H37 N5 O4 S
• Title of publication: Design, synthesis and biological activity of 4′-[(benzimidazol-1-yl)methyl]biphenyl-2-sulphonamides as dual angiotensin II and endothelin A receptor antagonists
• Authors of publication: Hao, Li-Ping; Xue, Wei-Zhe; Han, Xiao-Feng; He, Xing; Zhang, Jun; Zhou, Zhi-Ming
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 715
• a: 11.726 ± 0.003 Å
• b: 11.759 ± 0.003 Å
• c: 12.907 ± 0.003 Å
• α: 67.346 ± 0.005°
• β: 89.007 ± 0.009°
• γ: 82.672 ± 0.009°
• Cell volume: 1628 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No