Information card for entry 4130702

Structure parameters

• Formula: C189.74 H179.72 Cl20.22 F4 N33 O33.99
• Calculated formula: C189.74 H178.74 Cl20.2185 F4 N33 O33.988
• 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: 21.947 ± 0.004 Å
• b: 31.682 ± 0.006 Å
• c: 32.585 ± 0.007 Å
• α: 68.47 ± 0.03°
• β: 71.98 ± 0.03°
• γ: 87.32 ± 0.03°
• Cell volume: 19985 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.235
• Residual factor for significantly intense reflections: 0.1604
• Weighted residual factors for significantly intense reflections: 0.4103
• Weighted residual factors for all reflections included in the refinement: 0.4591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.85043 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No