Information card for entry 7226821

Structure parameters

• Formula: C17 H22 N4 O3
• Calculated formula: C17 H22 N4 O3
• Title of publication: A colorimetric and “turn-on” fluorimetric chemosensor for selective detection of cyanide and its application in food sample
• Authors of publication: Hu, JingHan; Sun, You; Qi, Jing; Pei, Peng-Xiang; Lin, Qi; Zhang, You-Ming
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.1776 ± 0.0019 Å
• b: 9.8366 ± 0.0015 Å
• c: 13.673 ± 0.006 Å
• α: 94.51 ± 0.02°
• β: 105.05 ± 0.03°
• γ: 104.13 ± 0.018°
• Cell volume: 893.6 ± 0.5 ų
• Cell temperature: 293.16 ± 0.13 K
• Ambient diffraction temperature: 293.16 ± 0.13 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: 0.1944
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.707
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No