Information card for entry 7154201

Structure parameters

• Common name: hw_c_17_2
• Chemical name: 5
• Formula: C70.15 H81.65 Cl15.44 F1.5 N12 O19 S6
• Calculated formula: C70.152 H81.152 Cl15.456 F1.5 N12 O19 S6
• Title of publication: The synthesis of head-to-tail cyclic sulfono-γ-AApeptides.
• Authors of publication: Wu, Haifan; She, Fengyu; Gao, Wenyang; Prince, Austin; Li, Yaqiong; Wei, Lulu; Mercer, Allison; Wojtas, Lukasz; Ma, Shengqian; Cai, Jianfeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 672 - 676
• a: 17.1143 ± 0.0004 Å
• b: 20.8803 ± 0.0006 Å
• c: 26.8416 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9591.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No