Information card for entry 7106712

Structure parameters

• Formula: C57 H62 Cl6 N12 O17
• Calculated formula: C57 H62 Cl6 N12 O17
• Title of publication: Reassembly self-sorting triggered by heterodimerization
• Authors of publication: Liping Cao; Jun-Gang Wang; Jiao-Yang Ding; Anxin Wu; Lyle Isaacs
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8548
• a: 14.4991 ± 0.001 Å
• b: 15.5113 ± 0.0011 Å
• c: 16.0201 ± 0.0011 Å
• α: 83.924 ± 0.001°
• β: 67.417 ± 0.001°
• γ: 71.886 ± 0.001°
• Cell volume: 3161.4 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No