Information card for entry 7216860

Structure parameters

• Formula: C20 H15 N4 O2
• Calculated formula: C20 H14 N4 O2
• SMILES: O=N(=O)c1ccc(C2n3c(c4ccccc4N2)nc2c3cccc2)cc1
• Title of publication: Substituent effect on fluorescence signaling of the cell permeable HSO4− receptors through single point to ratiometric response in green solvent
• Authors of publication: Mukherjee, Manjira; Pal, Siddhartha; Sen, Buddhadeb; Lohar, Somenath; Banerjee, Samya; Banerjee, Snehasis; Chattopadhyay, Pabitra
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 53
• Pages of publication: 27665
• a: 12.0792 ± 0.0005 Å
• b: 9.1171 ± 0.0004 Å
• c: 15.1341 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1666.68 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No