Information card for entry 8105616

Structure parameters

• Formula: C30 H22 S2
• Calculated formula: C30 H22 S2
• Title of publication: Crystal structure and photochemical property of 1,8-bis(p-tolylthio)pyrene, C30H22S2
• Authors of publication: Bin, Wen; Li-Hua, Xu; Na, Liu; Zhong-Hai, Ni
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 275 - 278
• a: 7.604 ± 0.004 Å
• b: 11.556 ± 0.005 Å
• c: 13.09 ± 0.007 Å
• α: 93.964 ± 0.008°
• β: 93.209 ± 0.008°
• γ: 90.619 ± 0.009°
• Cell volume: 1145.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No