Information card for entry 7134275

Structure parameters

• Formula: C76 H96 Cl N7 O28 S6
• Calculated formula: C76 H96 Cl N7 O28 S6
• Title of publication: A sulfone-functionalized molecular triangle as a strong anion receptor driven by anion-π interactions.
• Authors of publication: Ma, Yifan; Song, Zihang; Guo, Sidan; Han, Han; Cai, Kang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 23
• Pages of publication: 4531 - 4534
• a: 15.2633 ± 0.0005 Å
• b: 16.5145 ± 0.0006 Å
• c: 17.4282 ± 0.0006 Å
• α: 90°
• β: 90.1 ± 0.005°
• γ: 90°
• Cell volume: 4393 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.2838
• Weighted residual factors for all reflections included in the refinement: 0.3174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No