Information card for entry 7226080

Structure parameters

• Formula: C19 H12 Br F N2 O
• Calculated formula: C19 H12 Br F N2 O
• SMILES: Brc1ccc2nc(c3C(=C)N(c4ccc(F)cc4)C(=O)c3c2c1)C
• Title of publication: Convenient one-step synthesis of pyrrolo[3,4-c]quinolin-1-ones via TMSCl-catalyzed cascade reactions of isatins and β-enamino ketones
• Authors of publication: Xu, Hui; Zhou, Pan; Zhou, Bei; Zhou, Jie; Shen, Yuehai; Lu, Ling-Ling; Yu, Fu-Chao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 17.326 ± 0.003 Å
• b: 17.185 ± 0.003 Å
• c: 11.37 ± 0.002 Å
• α: 90°
• β: 108.741 ± 0.002°
• γ: 90°
• Cell volume: 3205.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1492
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No