Information card for entry 4120053

Structure parameters

• Formula: C33.5 H55 N3 O6.5 Si
• Calculated formula: C33.5 H55 N3 O6.5 Si
• SMILES: [Si](C)(C)(C)CCOC(=O)c1nc2c(c(OCC(C)C)c1)cccc2NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C.O.C(C)CCCCC
• 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: 15.5861 ± 0.0006 Å
• b: 19.4893 ± 0.0007 Å
• c: 24.7864 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7529.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes