Information card for entry 1504820

Structure parameters

• Formula: C22 H18 O
• Calculated formula: C22 H18 O
• SMILES: o1c(c(c2cc(c(cc12)C)C)c1ccccc1)c1ccccc1
• Title of publication: Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.
• Authors of publication: Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 3587 - 3590
• a: 6.0367 ± 0.0005 Å
• b: 7.511 ± 0.0006 Å
• c: 17.581 ± 0.0015 Å
• α: 97.099 ± 0.005°
• β: 94.814 ± 0.005°
• γ: 96.725 ± 0.005°
• Cell volume: 781.67 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No