Information card for entry 2233184

Structure parameters

• Chemical name: 6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]- 2,8,14,20-tetrakis(2-phenylethyl)resorcin[4]arene
• Formula: C76 H80 O16
• Calculated formula: C76 H80 O16
• SMILES: O(c1c2cc(c(OCC(=O)OC)c1)[C@H](c1c(OC)cc(OCC(=O)OC)c(c1)[C@H](c1c(OC)cc(OCC(=O)OC)c(c1)[C@H](c1c(OC)cc(OCC(=O)OC)c(c1)[C@H]2CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)C
• Title of publication: 6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]-2,8,14,20-tetrakis(2-phenylethyl)resorcin[4]arene
• Authors of publication: Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o97 - o98
• a: 14.1361 ± 0.0007 Å
• b: 32.2264 ± 0.0017 Å
• c: 28.9417 ± 0.0016 Å
• α: 90°
• β: 90.572 ± 0.001°
• γ: 90°
• Cell volume: 13183.9 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1624
• 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: Yes