Information card for entry 7034295

Structure parameters

• Formula: C24 H19 Cl N4 O
• Calculated formula: C24 H19 Cl N4 O
• SMILES: c12ccccc1cc(c(n2)Cl)C1n2c3ccccc3nc2c2ccccc2N1.CO
• Title of publication: A dual-responsive "turn-on" bifunctional receptor: a chemosensor for Fe(3+) and chemodosimeter for Hg(2.).
• Authors of publication: Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Biswas, Arnab; Kumar, Amit; Dubey, Mrigendra; Hundal, Maninder Singh; Pandey, Daya Shankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7118 - 7122
• a: 9.3626 ± 0.0013 Å
• b: 9.5165 ± 0.0016 Å
• c: 12.62 ± 0.002 Å
• α: 85.853 ± 0.007°
• β: 86.132 ± 0.007°
• γ: 80.744 ± 0.007°
• Cell volume: 1105.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2696
• Weighted residual factors for all reflections included in the refinement: 0.3013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No