Information card for entry 7712278

Structure parameters

• Formula: C9 H6 N4 O2
• Calculated formula: C9 H6 N4 O2
• Title of publication: Visible light sensing of ions by a cynoquinoxaline 1,4-dioxide-based probe and its applications
• Authors of publication: Choudhary, Savita; Nandikolla, Adinarayana; Shukla, Adarash Kumar; Chandrasekhar, K. V. G.; Bhattacharya, Anupam
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 4.8913 ± 0.0001 Å
• b: 9.7299 ± 0.0002 Å
• c: 17.6911 ± 0.0004 Å
• α: 90°
• β: 95.712 ± 0.002°
• γ: 90°
• Cell volume: 837.77 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No