Information card for entry 1504392

Structure parameters

• Common name: 1
• Formula: C52 H34 S2
• Calculated formula: C52 H34 S2
• SMILES: s1c(ccc1c1sc(cc1)c1c(c(c(c(c1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1c2ccccc2cc2ccccc12
• 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: 10.1667 ± 0.0005 Å
• b: 11.0179 ± 0.0006 Å
• c: 18.5125 ± 0.0014 Å
• α: 90.36 ± 0.002°
• β: 96.885 ± 0.002°
• γ: 111.722 ± 0.003°
• Cell volume: 1909.7 ± 0.2 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: 0.0444
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No