Information card for entry 2010560

Structure parameters

• Chemical name: Di-9-anthryl disulfide
• Formula: C28 H18 S2
• Calculated formula: C28 H18 S2
• SMILES: S(Sc1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12
• Title of publication: Di-9-anthryl disulfide at 193K
• Authors of publication: Kansikas, Jarno; Sipilä, Kaija
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 72 - 73
• a: 8.833 ± 0.0018 Å
• b: 16.833 ± 0.003 Å
• c: 14.335 ± 0.003 Å
• α: 90°
• β: 102.65 ± 0.03°
• γ: 90°
• Cell volume: 2079.7 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes