Information card for entry 7063783

Structure parameters

• Formula: C29 H22 O S2
• Calculated formula: C29 H21.7 O 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: 10.2519 ± 0.0008 Å
• b: 10.7695 ± 0.0006 Å
• c: 12.0148 ± 0.0006 Å
• α: 66.426 ± 0.005°
• β: 85.195 ± 0.005°
• γ: 64.595 ± 0.007°
• Cell volume: 1092.05 ± 0.15 ų
• Cell temperature: 296.15 ± 0.1 K
• Ambient diffraction temperature: 296.15 ± 0.1 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: 0.1424
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No