Information card for entry 7059239

Structure parameters

• Formula: C42 H36 O S5
• Calculated formula: C42 H36 O S5
• Title of publication: Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties
• Authors of publication: Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3249 - 3254
• a: 13.174 ± 0.002 Å
• b: 5.8936 ± 0.001 Å
• c: 23.803 ± 0.002 Å
• α: 90°
• β: 94.469 ± 0.012°
• γ: 90°
• Cell volume: 1842.5 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2608
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No