Information card for entry 7244376

Structure parameters

• Chemical name: TMTTF-([4]heliceneCOO)2
• Formula: C48 H34 O4 S4
• Calculated formula: C48 H34 O4 S4
• Title of publication: [4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors
• Authors of publication: zigon, nicolas; Avarvari, Narcis
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 14.0945 ± 0.0002 Å
• b: 12.8981 ± 0.0002 Å
• c: 20.6753 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3758.61 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1217
• 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