Information card for entry 1503791

Structure parameters

• Formula: C71 H94 O21 S4
• Calculated formula: C71 H94 O21 S4
• Title of publication: One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.
• Authors of publication: Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 923 - 926
• a: 9.594 ± 0.0019 Å
• b: 13.94 ± 0.003 Å
• c: 15.684 ± 0.003 Å
• α: 110.19 ± 0.03°
• β: 99.46 ± 0.03°
• γ: 98.73 ± 0.03°
• Cell volume: 1892 ± 0.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No