Information card for entry 7059241

Structure parameters

• Chemical name: A5CN_RT
• Formula: C42 H35 N S5
• Calculated formula: C42 H35 N 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: 12.931 ± 0.004 Å
• b: 5.8914 ± 0.0014 Å
• c: 23.919 ± 0.007 Å
• α: 90°
• β: 94.154 ± 0.011°
• γ: 90°
• Cell volume: 1817.4 ± 0.9 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 R(I) for significantly intense reflections: 10.3392
• Goodness-of-fit parameter for all reflections: 1.99202
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα1andKα2
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No