Information card for entry 1514336

Structure parameters

• Formula: C61.25 H74.5 N6 O16
• Calculated formula: C61 H75 N6 O16
• Title of publication: Assessing Stabilization through π-π Interactions in Aromatic Oligoamide β-Sheet Foldamers.
• Authors of publication: Sebaoun, Laure; Kauffmann, Brice; Delclos, Thomas; Maurizot, Victor; Huc, Ivan
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 2326 - 2329
• a: 10.604 ± 0.002 Å
• b: 23.472 ± 0.005 Å
• c: 27.553 ± 0.006 Å
• α: 77.89 ± 0.03°
• β: 83.86 ± 0.03°
• γ: 80.29 ± 0.03°
• Cell volume: 6591 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3048
• Residual factor for significantly intense reflections: 0.22
• Weighted residual factors for significantly intense reflections: 0.4951
• Weighted residual factors for all reflections included in the refinement: 0.5396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.498
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No