Information card for entry 7240218

Structure parameters

• Formula: C42 H40 O2 S6
• Calculated formula: C42 H40 O2 S6
• 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: 8.16 ± 0.0003 Å
• b: 8.4682 ± 0.0004 Å
• c: 13.9854 ± 0.0005 Å
• α: 87.738 ± 0.003°
• β: 87.241 ± 0.003°
• γ: 71.942 ± 0.004°
• Cell volume: 917.42 ± 0.07 ų
• Cell temperature: 170 ± 0.12 K
• Ambient diffraction temperature: 170 ± 0.12 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: 0.0992
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.2565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No