Information card for entry 1503373

Structure parameters

• Common name: compd-5
• Formula: C24 H22 O3.5 S6 Si2
• Calculated formula: C24 H22 O3.5 S6 Si2
• SMILES: s1c([Si](C)(C)C)cc2c1sc1sc(c(c21)c1c(sc2sc3sc([Si](C)(C)C)cc3c12)C=O)C=O.O.O
• Title of publication: Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.
• Authors of publication: Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 456 - 459
• a: 37.99 ± 0.03 Å
• b: 17.583 ± 0.013 Å
• c: 10.968 ± 0.008 Å
• α: 90°
• β: 102.348 ± 0.018°
• γ: 90°
• Cell volume: 7157 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1538
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No