Information card for entry 4130211

Structure parameters

• Formula: C132 H112 S8
• Calculated formula: C132 H112 S8
• Title of publication: Synthesis and Structural Features of Quadruple Helicenes: Highly Distorted π Systems Enabled by Accumulation of Helical Repulsions.
• Authors of publication: Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 10
• Pages of publication: 3587 - 3595
• a: 16.2172 ± 0.0004 Å
• b: 17.2657 ± 0.0008 Å
• c: 21.5757 ± 0.001 Å
• α: 85.709 ± 0.004°
• β: 68.48 ± 0.003°
• γ: 64.959 ± 0.003°
• Cell volume: 5068.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No