Information card for entry 1518124

Structure parameters

• Formula: C31 H30 N6 O3
• Calculated formula: C31 H30 N6 O3
• SMILES: Oc1c(cc(cc1/C=N/c1c(n(n(c2ccccc2)c1=O)C)C)C)/C=N/c1c(n(n(c1=O)c1ccccc1)C)C
• Title of publication: Selective and sensitive turn-on chemosensor for arsenite ion at the ppb level in aqueous media applicable in cell staining.
• Authors of publication: Lohar, Somenath; Pal, Siddhartha; Sen, Buddhadeb; Mukherjee, Manjira; Banerjee, Samya; Chattopadhyay, Pabitra
• Journal of publication: Analytical chemistry
• Year of publication: 2014
• Journal volume: 86
• Journal issue: 22
• Pages of publication: 11357 - 11361
• a: 7.6668 ± 0.0004 Å
• b: 25.7408 ± 0.0011 Å
• c: 14.5202 ± 0.0006 Å
• α: 90°
• β: 96.378 ± 0.003°
• γ: 90°
• Cell volume: 2847.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No