Information card for entry 7160302

Structure parameters

• Formula: C55 H54 O12 S
• Calculated formula: C55 H54 O12 S
• Title of publication: Glyoxylic acid monohydrate promoted reductive addition of sodium sulfinates to pillar[4]arene[1]quinone.
• Authors of publication: Zhang, Enfu; Ma, Da; Zhu, Chenghao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1146 - 1149
• a: 25.991 ± 0.0019 Å
• b: 14.306 ± 0.0011 Å
• c: 14.7845 ± 0.0011 Å
• α: 90°
• β: 94.361 ± 0.002°
• γ: 90°
• Cell volume: 5481.4 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No