Information card for entry 7109360

Structure parameters

• Formula: C42 H37 Cl6 N5 O13
• Calculated formula: C42 H37 Cl6 N5 O13
• Title of publication: Patterned recognition of amines and ammonium ions by a stimuli-responsive foldamer-based hexameric oligophenol host
• Authors of publication: Chang Sun; Changliang Ren; Yuchen Wei; Bo Qin; Huaqiang Zeng
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5307
• a: 14.4427 ± 0.0008 Å
• b: 21.5076 ± 0.0012 Å
• c: 15.8649 ± 0.0008 Å
• α: 90°
• β: 109.811 ± 0.001°
• γ: 90°
• Cell volume: 4636.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No