Information card for entry 1553654

Structure parameters

• Formula: C42 H42 I2 N2
• Calculated formula: C42 H42 I2 N2
• SMILES: c12c3c(ccc2cccc1)[N+](=C(/C=C/c1cc(/C=C/C2=[N+](c4ccc5c(c4C2(C)C)cccc5)CC)ccc1)C3(C)C)CC.[I-].[I-]
• Title of publication: A ratiometric fluorogenic probe for the real-time detection of SO₃^2- in aqueous medium: application in a cellulose paper based device and potential to sense SO₃^2- in mitochondria.
• Authors of publication: Samanta, Soham; Halder, Senjuti; Dey, Poulomi; Manna, Utsab; Ramesh, Aiyagari; Das, Gopal
• Journal of publication: The Analyst
• Year of publication: 2017
• Journal volume: 143
• Journal issue: 1
• Pages of publication: 250 - 257
• a: 15.6598 ± 0.0011 Å
• b: 15.6598 ± 0.0011 Å
• c: 34.08 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7237.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.1956
• Residual factor for significantly intense reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.3163
• Weighted residual factors for all reflections included in the refinement: 0.3489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No