Information card for entry 1551345

Structure parameters

• Formula: C312 H313 Cl24 N44 O50
• Calculated formula: C312 H313 Cl24 N44 O50
• 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: 18.008 ± 0.004 Å
• b: 18.419 ± 0.004 Å
• c: 30.513 ± 0.006 Å
• α: 78.68 ± 0.03°
• β: 88.33 ± 0.03°
• γ: 65.83 ± 0.03°
• Cell volume: 9039 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.2527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.824
• Diffraction radiation wavelength: 0.85001 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No