Information card for entry 7153736

Structure parameters

• Formula: C108 H136 N12
• Calculated formula: C102.263 H123.569 N12
• Title of publication: Symmetry as a new element to control molecular switches.
• Authors of publication: Schweighauser, Luca; Häussinger, Daniel; Neuburger, Markus; Wegner, Hermann A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 3371 - 3379
• a: 21.828 ± 0.004 Å
• b: 9.4747 ± 0.0016 Å
• c: 22.495 ± 0.004 Å
• α: 90°
• β: 95.114 ± 0.01°
• γ: 90°
• Cell volume: 4633.8 ± 1.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1755
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections: 0.1986
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No