Information card for entry 7034294

Structure parameters

• Formula: C24 H17 Cl N4 O
• Calculated formula: C24 H17 Cl N4 O
• SMILES: c12ccccc1n1C(c3c(nc4cc(ccc4c3)OC)Cl)Nc3ccccc3c1n2
• 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: 13.029 ± 0.002 Å
• b: 22.884 ± 0.005 Å
• c: 13.417 ± 0.003 Å
• α: 90°
• β: 92.34 ± 0.006°
• γ: 90°
• Cell volume: 3997 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2247
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No