Information card for entry 1504393

Structure parameters

• Formula: C56 H34 S2
• Calculated formula: C56 H34 S2
• SMILES: s1c(ccc1c1sc(cc1)c1c(c(c(c(c1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C#Cc1ccc2ccc3cccc4ccc1c2c34
• Title of publication: Unsymmetrical Dendrimers as Highly Efficient Light-Emitting Materials: Synthesis, Photophysics, and Electroluminescence
• Authors of publication: Zhang, Hengjun; Xu, Xinjun; Qiu, Wenfeng; Qi, Ting; Gao, Xike; Liu, Ying; Lu, Kun; Du, Chunyan; Yu, Gui; Liu, Yunqi
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 34
• Pages of publication: 13258
• a: 11.3233 ± 0.0015 Å
• b: 12.086 ± 0.0017 Å
• c: 15.497 ± 0.002 Å
• α: 79.217 ± 0.006°
• β: 77.259 ± 0.006°
• γ: 75.312 ± 0.006°
• Cell volume: 1981.6 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No