Information card for entry 7200662

Structure parameters

• Formula: C20 H22 O5
• Calculated formula: C20 H22 O5
• SMILES: C(=O)([C@@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1)O.C1CCCO1
• 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: 9.5545 ± 0.0002 Å
• b: 10.204 ± 0.0002 Å
• c: 36.9589 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3603.28 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No