Information card for entry 7158726

Structure parameters

• Chemical name: Phenyl(3-phenylbenzo[4,5]imidazo[2,1-b]thiazol-2-yl)methanone
• Formula: C22 H14 N2 O S
• Calculated formula: C22 H14 N2 O S
• Title of publication: Visible Light-Promoted Intermolecular Cyclization/Aromatization of Chalcones and 2-Mercaptobenzimidazoles via EDA Complex and Mechanism Study
• Authors of publication: Zhao, Xue-Jun; Li, Yuke; li, ming; Tian, Ya-Ling; Wang, Wen-Peng; Zhang, Bo-Sheng; Wang, Xi-Cun
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 11.564 ± 0.0004 Å
• b: 8.9788 ± 0.0004 Å
• c: 17.5497 ± 0.0007 Å
• α: 90°
• β: 101.097 ± 0.004°
• γ: 90°
• Cell volume: 1788.13 ± 0.13 ų
• Cell temperature: 301.94 ± 0.1 K
• Ambient diffraction temperature: 301.94 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No