Information card for entry 7200663

Structure parameters

• Formula: C68 H66 O17
• Calculated formula: C68 H66 O17
• SMILES: OC(=O)[C@@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1.O(CC)CC
• Title of publication: Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square
• Authors of publication: Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 549
• a: 16.249 ± 0.006 Å
• b: 16.249 ± 0.006 Å
• c: 22.54 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5951 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.1952
• Residual factor for significantly intense reflections: 0.1143
• Weighted residual factors for significantly intense reflections: 0.2863
• Weighted residual factors for all reflections included in the refinement: 0.3441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No