Information card for entry 7150220

Structure parameters

• Formula: C49.5 H30 Cl15 O2 Sb2
• Calculated formula: C49.5 H30 Cl15 O2 Sb2
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].ClCCl.ClCCl.c12c(ccc3ccccc13)[C@H](c1c3ccccc3[o+]c3ccccc13)[C@H](c1c2c2c(cc1)cccc2)c1c2ccccc2[o+]c2ccccc12.[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].ClCCl.ClCCl.c12c(ccc3ccccc13)[C@@H](c1c3ccccc3[o+]c3ccccc13)[C@@H](c1c2c2c(cc1)cccc2)c1c2ccccc2[o+]c2ccccc12
• 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: 57.17 ± 0.01 Å
• b: 35.88 ± 0.009 Å
• c: 10.483 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21503 ± 9 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.451
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No