Information card for entry 7107488

Structure parameters

• Formula: C58 H101 N12 O19.5
• Calculated formula: C58 H88 N12 O19.5
• Title of publication: Chemical communication: conductors and insulators of screw-sense preference between helical oligo(aminoisobutyric acid) domains
• Authors of publication: Thomas Boddaert; Jordi Sola; Madeleine Helliwell; Jonathan Clayden
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3397
• a: 18.325 ± 0.0018 Å
• b: 18.8786 ± 0.0019 Å
• c: 20.298 ± 0.002 Å
• α: 90°
• β: 95.635 ± 0.002°
• γ: 90°
• Cell volume: 6988.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No