Information card for entry 7125335

Structure parameters

• Formula: C17 H14 N2 O2 S
• Calculated formula: C17 H14 N2 O2 S
• Title of publication: Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.
• Authors of publication: Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 73
• Pages of publication: 10240 - 10243
• a: 7.1819 ± 0.0013 Å
• b: 12.909 ± 0.003 Å
• c: 16.108 ± 0.003 Å
• α: 90°
• β: 99.316 ± 0.018°
• γ: 90°
• Cell volume: 1473.7 ± 0.5 ų
• Cell temperature: 294.29 ± 0.18 K
• Ambient diffraction temperature: 294.29 ± 0.18 K
• Number of distinct elements: 5
• 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: 0.1176
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No