Information card for entry 7244742

Structure parameters

• Formula: C28 H22 S5
• Calculated formula: C56 H44 S10
• Title of publication: Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene
• Authors of publication: Ueda, Masafumi; Mazaki, Yasuhiro
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 10870 - 10874
• a: 9.6067 ± 0.0003 Å
• b: 11.3115 ± 0.0002 Å
• c: 11.6687 ± 0.0002 Å
• α: 76.325 ± 0.002°
• β: 78.743 ± 0.002°
• γ: 88.93 ± 0.002°
• Cell volume: 1207.84 ± 0.05 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0391
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No