Information card for entry 7104457

Structure parameters

• Formula: C172 H202 Cl6 O8 S4 Si8
• Calculated formula: C172 H202 Cl6 O8 S4 Si8
• SMILES: C(Cl)(Cl)Cl.O(CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC2C(=C[Si]C=2c2sc(c3sc(C4=C5C(=C[Si]4)CC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C5)c4c3C[C@@](COS(c3ccccc3)(C(C)(C)C)c3ccccc3)(C4)CO[Si](c3ccccc3)(C(C)(C)C)c3ccccc3)c3c2C[C@@](COS(c2ccccc2)(C(C)(C)C)c2ccccc2)(C3)CO[Si](c2ccccc2)(C(C)(C)C)c2ccccc2)C1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C(CCC)CC.C(Cl)(Cl)Cl
• Title of publication: Completely encapsulated oligothiophenes up to 12-mer.
• Authors of publication: Ie, Yutaka; Han, Aihong; Otsubo, Tetsuo; Aso, Yoshio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 3020 - 3022
• a: 17.389 ± 0.006 Å
• b: 20.834 ± 0.005 Å
• c: 13.144 ± 0.006 Å
• α: 99.06 ± 0.03°
• β: 104.91 ± 0.04°
• γ: 69.86 ± 0.02°
• Cell volume: 4308 ± 3 ų
• Cell temperature: 198.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 2.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No