Information card for entry 7106829

Structure parameters

• Formula: C28 H22 N2 O4
• Calculated formula: C28 H22 N2 O4
• Title of publication: Synthesis of pentacene-, tetracene- and anthracene bisimides using double-cyclization reaction mediated by bismuth(III) triflate
• Authors of publication: Shuhei Katsuta; Kazuki Tanaka; Yukihiro Maruya; Shigeki Mori; Sadahiro Masuo; Tetsuo Okujima; Hidemitsu Uno; Ken-ichi Nakayama; Hiroko Yamada
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10112
• a: 11.399 ± 0.004 Å
• b: 21.609 ± 0.008 Å
• c: 13.165 ± 0.006 Å
• α: 90°
• β: 104.728 ± 0.009°
• γ: 90°
• Cell volume: 3136 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No