Information card for entry 7236810

Structure parameters

• Formula: C38 H14 F10 S2
• Calculated formula: C38 H14 F10 S2
• Title of publication: Enhanced stability of a rubrene analogue with a brickwork packing motif
• Authors of publication: Li, Jinfeng; Ni, Zhenjie; Zhang, Xiaotao; Li, Rongjin; Dong, Huanli; Hu, Wenping
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 33
• Pages of publication: 8376
• a: 13.862 ± 0.003 Å
• b: 7.756 ± 0.0016 Å
• c: 27.693 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2977.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No