Information card for entry 7035354

Structure parameters

• Formula: C29 H24 N6 O4
• Calculated formula: C29 H22 N6 O4
• SMILES: c1(c(c(cc(c1)C)/C=N/NC(=O)c1ccc2c(cccc2)n1)O)/C=N/NC(=O)c1ccc2c(cccc2)n1.O
• Title of publication: A sole multi-analyte receptor responds with three distinct fluorescence signals: traffic signal like sensing of Al(3+), Zn(2+) and F(.).
• Authors of publication: Datta, Barun Kumar; Thiyagarajan, Durairaj; Ramesh, Aiyagari; Das, Gopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13093 - 13099
• a: 21.318 ± 0.003 Å
• b: 11.3583 ± 0.0013 Å
• c: 21.294 ± 0.003 Å
• α: 90°
• β: 92.519 ± 0.007°
• γ: 90°
• Cell volume: 5151.1 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2639
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No