Information card for entry 7203868

Structure parameters

• Formula: ?
• Calculated formula: C20 H25 N O3
• SMILES: [O-]C(=O)[C@@H](c1ccc(C)cc1)CC.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: 17.045 ± 0.004 Å
• b: 6.148 ± 0.002 Å
• c: 17.931 ± 0.004 Å
• α: 90 ± 0°
• β: 101.22 ± 0.02°
• γ: 90 ± 0°
• Cell volume: 1843.1 ± 0.9 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: A 1 2 1
• Hall space group symbol: A 2y
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.252
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No