Information card for entry 1551343

Structure parameters

• Formula: C488 H460 Cl12 N80 O88
• Calculated formula: C463 H383 Cl12 N80 O88
• Title of publication: Designing cooperatively folded abiotic uni- and multimolecular helix bundles
• Authors of publication: Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc
• Journal of publication: Nature Chemistry
• Year of publication: 2018
• Journal volume: 10
• Pages of publication: 51 - 57
• a: 29.331 ± 0.004 Å
• b: 29.331 ± 0.004 Å
• c: 59.183 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 44094 ± 12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.1421
• Residual factor for significantly intense reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.2917
• Weighted residual factors for all reflections included in the refinement: 0.2986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.74
• Diffraction radiation wavelength: 0.85 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No