Information card for entry 7152730

Structure parameters

• Formula: C60 H52 Cl8 N12 Zn4
• Calculated formula: C60 H52 Cl8 N12 Zn4
• 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: 14.26 ± 0.0002 Å
• b: 26.14 ± 0.0004 Å
• c: 16.822 ± 0.0002 Å
• α: 90°
• β: 101.476 ± 0.001°
• γ: 90°
• Cell volume: 6145.15 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No