Information card for entry 7150218

Structure parameters

• Formula: C52 H42 Cl12 O4 Sb2
• Calculated formula: C52 H42 Cl12 O4 Sb2
• SMILES: c12c(ccc3ccccc13)[C@@H]([C+](c1ccc(OC)cc1)c1ccc(cc1)OC)[C@@H](c1c2c2c(cc1)cccc2)[C+](c1ccc(OC)cc1)c1ccc(OC)cc1.Cl[Sb](Cl)(Cl)(Cl)(Cl)[Cl-].Cl[Sb](Cl)(Cl)(Cl)(Cl)[Cl-].c12c(ccc3ccccc13)[C@H]([C+](c1ccc(OC)cc1)c1ccc(cc1)OC)[C@H](c1c2c2c(cc1)cccc2)[C+](c1ccc(OC)cc1)c1ccc(OC)cc1.Cl[Sb](Cl)(Cl)(Cl)(Cl)[Cl-].Cl[Sb](Cl)(Cl)(Cl)(Cl)[Cl-]
• Title of publication: Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.
• Authors of publication: Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 3024 - 3031
• a: 18.425 ± 0.007 Å
• b: 34.5 ± 0.01 Å
• c: 10.674 ± 0.004 Å
• α: 90 ± 0.002°
• β: 115.457 ± 0.003°
• γ: 90 ± 0.002°
• Cell volume: 6126 ± 4 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No