Information card for entry 7240217

Structure parameters

• Formula: C38 H40 O2 S4
• Calculated formula: C38 H40 O2 S4
• Title of publication: New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials
• Authors of publication: Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 12378 - 12383
• a: 5.345 ± 0.0001 Å
• b: 8.3039 ± 0.0002 Å
• c: 18.8962 ± 0.0004 Å
• α: 101.923 ± 0.002°
• β: 93.255 ± 0.002°
• γ: 98.322 ± 0.002°
• Cell volume: 808.7 ± 0.03 ų
• Cell temperature: 170 ± 0.11 K
• Ambient diffraction temperature: 170 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No