Information card for entry 1503371

Structure parameters

• Common name: compd-1-p
• Formula: C24 H22 S6 Si2
• Calculated formula: C24 H22 S6 Si2
• SMILES: c12c(ccc3c1c1c(s3)sc3c1cc(s3)[Si](C)(C)C)sc1c2c2c(s1)sc(c2)[Si](C)(C)C
• 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: 8.5149 ± 0.0014 Å
• b: 10.6494 ± 0.0017 Å
• c: 16.51 ± 0.003 Å
• α: 74.37 ± 0.002°
• β: 89.326 ± 0.002°
• γ: 69.807 ± 0.002°
• Cell volume: 1347.6 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No