Information card for entry 7131801

Structure parameters

• Formula: C16 H11 F N2 O
• Calculated formula: C16 H11 F N2 O
• Title of publication: An efficient Selectfluor-mediated condensation of indoles and anthranilates for synthesis of indoloquinazolinones
• Authors of publication: Wang, Xinzhe; Wu, Zhipeng; Tu, Guogang; Zhao, Yuanyue; Xiong, Xiaodong
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 7.7447 ± 0.0003 Å
• b: 14.0532 ± 0.0006 Å
• c: 11.9858 ± 0.0005 Å
• α: 90°
• β: 105.685 ± 0.0012°
• γ: 90°
• Cell volume: 1255.93 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.049
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No