Information card for entry 2206457

Structure parameters

• Chemical name: 9,10-Bis[(phenylthio)methyl]anthracene '
• Formula: C28 H22 S2
• Calculated formula: C28 H22 S2
• SMILES: c1ccc2c(c1)c(CSc1ccccc1)c1c(c2CSc2ccccc2)cccc1
• Title of publication: 9,10-Bis[(phenylsulfanyl)methyl]anthracene
• Authors of publication: Chunbo Liu; Guangbo Che; Chuanbi Li; Yuncheng Cui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2537 - o2538
• a: 7.318 ± 0.002 Å
• b: 9.736 ± 0.003 Å
• c: 15.433 ± 0.005 Å
• α: 90°
• β: 98.178 ± 0.005°
• γ: 90°
• Cell volume: 1088.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes