Information card for entry 4120054

Structure parameters

• Formula: C44 H60 N5 O8 Si
• Calculated formula: C44 H60 N5 O8 Si
• Title of publication: Folding of a Linear Array of α-Amino Acids within a Helical Aromatic Oligoamide Frame
• Authors of publication: Mayumi Kudo; Victor Maurizot; Brice Kauffmann; Aya Tanatani; Ivan Huc
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9628 - 9631
• a: 12.6657 ± 0.0008 Å
• b: 13.5105 ± 0.0009 Å
• c: 15.0507 ± 0.0009 Å
• α: 102.063 ± 0.004°
• β: 110.663 ± 0.004°
• γ: 96.127 ± 0.005°
• Cell volume: 2310.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No