Information card for entry 7203870

Structure parameters

• Formula: ?
• Calculated formula: C19 H20 F3 N O4
• SMILES: FC(F)(F)[C@@](OC)(C(=O)[O-])c1ccccc1.O[C@H]1[C@@H]([NH3+])c2c(C1)cccc2
• Title of publication: Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †
• Authors of publication: Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 1
• Pages of publication: 111
• a: 15.787 ± 0.002 Å
• b: 6.3359 ± 0.0008 Å
• c: 9.353 ± 0.001 Å
• α: 90 ± 0°
• β: 99.428 ± 0.008°
• γ: 90 ± 0°
• Cell volume: 922.9 ± 0.19 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No