Information card for entry 7134746

Structure parameters

• Formula: C24 H16 S4
• Calculated formula: C24 H16 S4
• Title of publication: Synthesis, structure, and properties of twisted π-conjugated molecules featuring three-dimensional π-π interactions in solid states.
• Authors of publication: Nagase, Mai; Yoshida, Ryu; Nakano, Sachiko; Hirose, Takashi; Segawa, Yasutomo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 60
• Pages of publication: 11187 - 11190
• a: 12.0579 ± 0.0005 Å
• b: 7.6145 ± 0.0003 Å
• c: 21.3949 ± 0.0007 Å
• α: 90°
• β: 105.709 ± 0.004°
• γ: 90°
• Cell volume: 1891 ± 0.13 ų
• Cell temperature: 143.15 K
• Ambient diffraction temperature: 143.15 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No