Information card for entry 7200661

Structure parameters

• Formula: C20 H22 O5
• Calculated formula: C20 H22 O5
• SMILES: OC(=O)[C@H]([C@@H](C(=O)O)c1ccccc1)c1ccccc1.O1CCCC1.OC(=O)[C@@H]([C@H](C(=O)O)c1ccccc1)c1ccccc1.O1CCCC1
• 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: 9.1569 ± 0.0007 Å
• b: 10.3223 ± 0.0009 Å
• c: 11.04 ± 0.0009 Å
• α: 69.817 ± 0.001°
• β: 74.207 ± 0.002°
• γ: 64.677 ± 0.001°
• Cell volume: 875.72 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1637
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2391
• Weighted residual factors for all reflections included in the refinement: 0.32
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No