Information card for entry 7150217

Structure parameters

• Formula: C48 H30 O2
• Calculated formula: C48 H30 O2
• SMILES: O1c2ccccc2C(=Cc2c(c3c(cc2)cccc3)c2c(ccc3ccccc23)C=C2c3ccccc3Oc3ccccc23)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: 11.977 ± 0.003 Å
• b: 24.465 ± 0.006 Å
• c: 12.25 ± 0.004 Å
• α: 90 ± 0.002°
• β: 110.328 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 3365.9 ± 1.6 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No