Information card for entry 7226053

Structure parameters

• Formula: C20 H18 N O5
• Calculated formula: C19 H18 N2 O5
• SMILES: o1c(c(c(=O)c2c1ccc(c2)N(=O)=O)O)c1ccc(N(CC)CC)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: 7.0399 ± 0.0007 Å
• b: 7.3275 ± 0.0007 Å
• c: 17.4123 ± 0.0017 Å
• α: 89.658 ± 0.008°
• β: 82.561 ± 0.008°
• γ: 76.168 ± 0.008°
• Cell volume: 864.53 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No