Information card for entry 1518662

Structure parameters

• Formula: C65 H50 S4
• Calculated formula: C65 H50 S4
• Title of publication: Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations
• Authors of publication: Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2354
• a: 20.1 ± 0.002 Å
• b: 5.1652 ± 0.0004 Å
• c: 25.159 ± 0.003 Å
• α: 90°
• β: 109.501 ± 0.006°
• γ: 90°
• Cell volume: 2462.2 ± 0.4 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: 0.0457
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No