Information card for entry 1520617

Structure parameters

• Common name: 3-NN-5-BrSali
• Chemical name: 3-trimethylethylenediaminomethyl- 5-bromosalicyldehyde
• Formula: C41 H48 Br N7 O3
• Calculated formula: C41 H48 Br N7 O3
• SMILES: Brc1cc(/C=N/N2C3(c4c(Oc5c3cc(c(NCC)c5)C)cc(NCC)c(c4)C)c3ccccc3C2=O)c(O)c(c1)CN(CCN(C)C)C.N#CC
• Title of publication: Naked eye instant reversible sensing of Cu(2+) and its in situ imaging in live brine shrimp Artemia.
• Authors of publication: Nair, Ratish R.; Raju, M.; Patel, Neha P.; Raval, Ishan H.; Suresh, E.; Haldar, Soumya; Chatterjee, Pabitra B.
• Journal of publication: The Analyst
• Year of publication: 2015
• Journal volume: 140
• Journal issue: 16
• Pages of publication: 5464 - 5468
• a: 11.7286 ± 0.0008 Å
• b: 15.6534 ± 0.001 Å
• c: 22.6519 ± 0.0015 Å
• α: 93.311 ± 0.001°
• β: 99.266 ± 0.001°
• γ: 107.5 ± 0.001°
• Cell volume: 3889.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No