Information card for entry 4329438

Structure parameters

• Chemical name: Bis(9-anthryl)sulfide
• Formula: C28 H18 S
• Calculated formula: C28 H18 S
• SMILES: S(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12
• Title of publication: Synthesis and Structures of Cuprous Triptycylthiolate Complexes
• Authors of publication: Skylar J. Ferrara; Joel T. Mague; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6567 - 6576
• a: 20.481 ± 0.003 Å
• b: 5.0204 ± 0.0008 Å
• c: 19.693 ± 0.003 Å
• α: 90°
• β: 114.562 ± 0.002°
• γ: 90°
• Cell volume: 1841.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No