Information card for entry 1505316

Structure parameters

• Formula: C33 H40 O2 S2 Si2
• Calculated formula: C33 H40 O2 S2 Si2
• SMILES: S1(=O)(=O)C(=CC2=C1C1(c3sc([Si](C)(C)C(C)(C)C)cc23)c2ccccc2c2ccccc12)[Si](C(C)(C)C)(C)C
• Title of publication: An effective strategy to tune supramolecular interaction via a spiro-bridged spacer in oligothiophene-S,S-dioxides and their anomalous photoluminescent behavior.
• Authors of publication: Xie, Ling-Hai; Hou, Xiao-Ya; Hua, Yu-Ran; Huang, Yan-Qin; Zhao, Bao-Min; Liu, Feng; Peng, Bo; Wei, Wei; Huang, Wei
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 1619 - 1622
• a: 12.45 ± 0.04 Å
• b: 12.94 ± 0.04 Å
• c: 22.63 ± 0.07 Å
• α: 80.74 ± 0.05°
• β: 86.74 ± 0.05°
• γ: 79.99 ± 0.06°
• Cell volume: 3542 ± 19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2879
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.556
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No