Information card for entry 4130705

Structure parameters

• Formula: C175.19 H167.07 Cl18.58 F3 N31 O33.45
• Calculated formula: C175.188 H164.188 Cl18.564 F3 N31 O33.454
• Title of publication: Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.
• Authors of publication: Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 32
• Pages of publication: 10314 - 10322
• a: 49.435 ± 0.003 Å
• b: 20.803 ± 0.0006 Å
• c: 44.896 ± 0.002 Å
• α: 90°
• β: 120.02 ± 0.002°
• γ: 90°
• Cell volume: 39977 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2248
• Residual factor for significantly intense reflections: 0.1826
• Weighted residual factors for significantly intense reflections: 0.4648
• Weighted residual factors for all reflections included in the refinement: 0.492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.643
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No