Information card for entry 4124889

Structure parameters

• Formula: C49 H89 N13 O12 Si
• Calculated formula: C49 H89 N13 O12 Si
• Title of publication: Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.
• Authors of publication: Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 2
• Pages of publication: 688 - 695
• a: 39.3342 ± 0.0012 Å
• b: 18.0326 ± 0.0005 Å
• c: 73.883 ± 0.002 Å
• α: 90°
• β: 96.068 ± 0.002°
• γ: 90°
• Cell volume: 52111 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No