Information card for entry 7226519

Structure parameters

• Formula: C23 H18 N4 O
• Calculated formula: C23 H18 N4 O
• SMILES: O(c1nc(c(n2cncc2)c(c1C#N)c1ccccc1)c1ccccc1)CC
• Title of publication: Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application
• Authors of publication: Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 89
• Pages of publication: 85838
• a: 21.2631 ± 0.0007 Å
• b: 14.0448 ± 0.0004 Å
• c: 16.208 ± 0.0009 Å
• α: 90°
• β: 129.299 ± 0.001°
• γ: 90°
• Cell volume: 3745.7 ± 0.3 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 4
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No