Information card for entry 1569774

Structure parameters

• Formula: C17 H10 N2 S7
• Calculated formula: C17 H10 N2 S7
• Title of publication: Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules.
• Authors of publication: Tomimatsu, Akihiro; Suizu, Rie; Nakazawa, Miyabi; Shirahata, Takashi; Misaki, Yohji; Kinoshita, Naoya; Awaga, Kunio
• Journal of publication: Faraday discussions
• Year of publication: 2024
• Journal volume: 250
• Journal issue: 0
• Pages of publication: 96 - 109
• a: 6.504 ± 0.0002 Å
• b: 23.3098 ± 0.0008 Å
• c: 11.7604 ± 0.0004 Å
• α: 90°
• β: 93.774 ± 0.003°
• γ: 90°
• Cell volume: 1779.09 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No