Information card for entry 4130706

Structure parameters

• Formula: C195.18 H194.65 Cl18.55 F4 N33 O35.73
• Calculated formula: C195.176 H191.176 Cl18.528 F4 N33 O35.735
• 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: 21.071 ± 0.004 Å
• b: 24.247 ± 0.005 Å
• c: 25.223 ± 0.005 Å
• α: 73.88 ± 0.03°
• β: 76.97 ± 0.03°
• γ: 69.57 ± 0.03°
• Cell volume: 11482 ± 5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2266
• Residual factor for significantly intense reflections: 0.1841
• Weighted residual factors for significantly intense reflections: 0.4481
• Weighted residual factors for all reflections included in the refinement: 0.4747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.672
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No