Information card for entry 7150666

Structure parameters

• Formula: C133 H132.5 Cl13.5 N16 O20
• Calculated formula: C133 H120 Cl13.5 N16 O20
• Title of publication: Conformationally constrained aromatic oligoamide foldamers with supersecondary structure motifs
• Authors of publication: Hu, Hai-Yu; Xiang, Jun-Feng; Chen, Chuan-Feng
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2534 - 2539
• a: 14.041 ± 0.003 Å
• b: 15.327 ± 0.003 Å
• c: 18.74 ± 0.004 Å
• α: 110.78 ± 0.03°
• β: 102.06 ± 0.03°
• γ: 104.06 ± 0.03°
• Cell volume: 3458.6 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.2973
• Residual factor for significantly intense reflections: 0.1473
• Weighted residual factors for significantly intense reflections: 0.3631
• Weighted residual factors for all reflections included in the refinement: 0.4435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No