Information card for entry 1506934

Structure parameters

• Formula: C36 H26 Cl2 O8
• Calculated formula: C36 H26 Cl2 O8
• SMILES: c1(cccc2cccc(c12)[C+](c1ccccc1)c1ccccc1)[C+](c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: 1,8-bis(diphenylmethylium)naphthalenediyl dication as an organic oxidant: synthesis of benzidines via self-coupling of N,N-dialkylanilines.
• Authors of publication: Saitoh, Terunobu; Yoshida, Suguru; Ichikawa, Junji
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 4563 - 4565
• a: 16.09 ± 0.007 Å
• b: 10.544 ± 0.004 Å
• c: 17.881 ± 0.007 Å
• α: 90 ± 0.0015°
• β: 104.605 ± 0.0017°
• γ: 90 ± 0.0015°
• Cell volume: 2936 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No