Information card for entry 1503089

Structure parameters

• Formula: C95 H139 Cl9 N16 O22
• Calculated formula: C95 H139 Cl9 N16 O22
• Title of publication: 12-Helix folding of cyclobutane beta-amino acid oligomers.
• Authors of publication: Fernandes, Carlos; Faure, Sophie; Pereira, Elisabeth; Théry, Vincent; Declerck, Valérie; Guillot, Régis; Aitken, David J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 16
• Pages of publication: 3606 - 3609
• a: 21.4551 ± 0.0014 Å
• b: 28.4412 ± 0.0019 Å
• c: 8.9866 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5483.7 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No