Information card for entry 7063780

Structure parameters

• Formula: C28 H22 S2
• Calculated formula: C28 H22 S2
• Title of publication: Synthesis, structure and electronic transport properties of phenanthrenone derivatives
• Authors of publication: Shen, Shan-Shan; Xiao, Ya-Ting; Bai, Zhe-Hao; Gan, Zi-Yang; Ding, Ye-Hao; Yan, Jian-Feng; Li, Yuan-Ming; Geng, Yan-Hou; Yuan, Yao-Feng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 9177 - 9184
• a: 16.768 ± 0.0009 Å
• b: 7.8383 ± 0.0003 Å
• c: 17.1786 ± 0.001 Å
• α: 90°
• β: 109.761 ± 0.006°
• γ: 90°
• Cell volume: 2124.9 ± 0.2 ų
• Cell temperature: 296.15 ± 0.1 K
• Ambient diffraction temperature: 296.15 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No