Information card for entry 4021428

Structure parameters

• Formula: C79 H63 Ag7 Cl3 F21 O20
• Calculated formula: C79 H63 Ag7 Cl3 F21 O20
• Title of publication: Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation
• Authors of publication: Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 940 - 946
• a: 12.5115 ± 0.0011 Å
• b: 14.6376 ± 0.0012 Å
• c: 24.26 ± 0.002 Å
• α: 89.413 ± 0.002°
• β: 80.832 ± 0.002°
• γ: 87.561 ± 0.002°
• Cell volume: 4382.1 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1658
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No