Information card for entry 7060213

Structure parameters

• Formula: C18 H12 S2
• Calculated formula: C18 H12 S2
• SMILES: s1c(ccc1)c1c2c(cccc2ccc1)c1sccc1
• Title of publication: Multichannel transport in conjugated polymers based on through-space conjugated naphthalene
• Authors of publication: Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1795 - 1799
• a: 10.9084 ± 0.0002 Å
• b: 10.59026 ± 0.00018 Å
• c: 12.3593 ± 0.0003 Å
• α: 90°
• β: 104.253 ± 0.002°
• γ: 90°
• Cell volume: 1383.83 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.032
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No