Information card for entry 7244374

Structure parameters

• Chemical name: exp_1587
• Formula: C38 H27.62 Cl2.01 O4.31 S18
• Calculated formula: C38 H27.624 Cl2.01 O4.317 S18.005
• 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: 12.7324 ± 0.0014 Å
• b: 12.7345 ± 0.0013 Å
• c: 16.3097 ± 0.0011 Å
• α: 81.224 ± 0.007°
• β: 78.147 ± 0.007°
• γ: 64.043 ± 0.01°
• Cell volume: 2321.1 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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 all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2312
• Weighted residual factors for all reflections included in the refinement: 0.2488
• 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: Yes
• Has Fobs: No