Information card for entry 7226052

Structure parameters

• Formula: C19 H18 Br N O3
• Calculated formula: C19 H18 Br N O3
• SMILES: Brc1cc2c(oc(c3ccc(N(CC)CC)cc3)c(O)c2=O)cc1
• Title of publication: 3-hydroxyflavone derivatives synthesized by a new simple method as chemosensors for cyanide anions
• Authors of publication: Wu, Qianqian; Wang, Zian; Li, Jiale; Qiu, Shuang; Cao, Duxia; Liu, Zhiqiang; Guan, Ruifang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.3522 ± 0.0019 Å
• b: 13.823 ± 0.003 Å
• c: 9.515 ± 0.002 Å
• α: 90°
• β: 92.847 ± 0.018°
• γ: 90°
• Cell volume: 1754 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1509
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No