Information card for entry 8000195

Structure parameters

• Formula: C20 H23 N2 O S8
• Calculated formula: C20 H23 N2 O S8
• SMILES: S1CCSC2=C1SC(S2)=C1SC2=C(S1)SCC(S2)C1=CC([N](=O)C1(C)C)(C)C.N#CC
• Title of publication: New π-Electron Donors with a 2,2,5,5-Tetramethylpyrrolin-1-yloxyl Radical Designed for Magnetic Molecular Conductors
• Authors of publication: Fujiwara, Emiko; Aonuma, Shuji; Fujiwara, Hideki; Sugimoto, Toyonari; Misaki, Yohji
• Journal of publication: Chemistry Letters
• Year of publication: 2008
• Journal volume: 37
• Journal issue: 1
• Pages of publication: 84
• a: 10.962 ± 0.005 Å
• b: 17.938 ± 0.007 Å
• c: 6.67 ± 0.004 Å
• α: 99.25 ± 0.04°
• β: 100.63 ± 0.04°
• γ: 87.81 ± 0.03°
• Cell volume: 1272.2 ± 1.1 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No