Information card for entry 7153753

Structure parameters

• Common name: AG.118-B
• Formula: C66 H96 N8 O22
• Calculated formula: C66 H96 N8 O22
• Title of publication: Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.
• Authors of publication: Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 44
• Pages of publication: 8762 - 8766
• a: 22.8898 ± 0.0013 Å
• b: 22.8898 ± 0.0013 Å
• c: 32.1163 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14572.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No