Information card for entry 7106713

Structure parameters

• Formula: C40 H36 Cl9 F5 N6 O10
• Calculated formula: C40 H36 Cl9 F5 N6 O10
• 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: 10.5648 ± 0.001 Å
• b: 15.5841 ± 0.0014 Å
• c: 16.8119 ± 0.0015 Å
• α: 116.766 ± 0.001°
• β: 97.158 ± 0.002°
• γ: 90.808 ± 0.002°
• Cell volume: 2444.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No