Information card for entry 4066652

Structure parameters

• Formula: C22 H13 Bi S2
• Calculated formula: C22 H13 Bi S2
• SMILES: [Bi]1(c2c(sc3c2cccc3)c2sc3c(c12)cccc3)c1ccccc1
• Title of publication: Synthesis of Dithienobismoles as Novel Phosphorescence Materials
• Authors of publication: Ohshita, Joji; Matsui, Shigenori; Yamamoto, Roh; Mizumo, Tomonobu; Ooyama, Yousuke; Harima, Yutaka; Murafuji, Toshihiro; Tao, Keisuke; Kuramochi, Yusuke; Kaikoh, Takashi; Higashimura, Hideyuki
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3239
• a: 18.3723 ± 0.0013 Å
• b: 5.1602 ± 0.0004 Å
• c: 19.2084 ± 0.0012 Å
• α: 90°
• β: 95.2419 ± 0.0018°
• γ: 90°
• Cell volume: 1813.4 ± 0.2 ų
• Cell temperature: 103.1 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 significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 4.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No