Information card for entry 1502306

Structure parameters

• Formula: C84 H96 S3 Si3
• Calculated formula: C84 H96 S3 Si3
• SMILES: s1c2c3c(c4c(c5c3C(c3c5sc([Si](C(C)C)(C(C)C)C(C)C)c3)(c3ccccc3)c3ccccc3)C(c3c4sc([Si](C(C)C)(C(C)C)C(C)C)c3)(c3ccccc3)c3ccccc3)C(c2cc1[Si](C(C)C)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and properties of novel C3-symmetric coplanar chromophores.
• Authors of publication: Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 4168 - 4171
• a: 48.802 ± 0.001 Å
• b: 9.1918 ± 0.0002 Å
• c: 39.5359 ± 0.0007 Å
• α: 90°
• β: 123.36 ± 0.002°
• γ: 90°
• Cell volume: 14812.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No