Information card for entry 1503369

Structure parameters

• Common name: compd-3
• Formula: C48 H42 Cl6 O2 S12 Si4
• Calculated formula: C48 H42 Cl6 O2 S12 Si4
• SMILES: c12c(c3c(s2)sc2c3cc(s2)[Si](C)(C)C)c2c(C(=O)c3c(c4c(C1=O)sc1c4c4c(s1)sc(c4)[Si](C)(C)C)c1c(s3)sc3c1cc(s3)[Si](C)(C)C)sc1c2c2c(s1)sc(c2)[Si](C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 12.9084 ± 0.0008 Å
• b: 12.9205 ± 0.0008 Å
• c: 38.481 ± 0.002 Å
• α: 91.985 ± 0.001°
• β: 97.364 ± 0.001°
• γ: 91.075 ± 0.001°
• Cell volume: 6359.5 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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 all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2297
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No