Information card for entry 4346177

Structure parameters

• Formula: C46 H42 N6 O4 S
• Calculated formula: C46 H42 N6 O4 S
• SMILES: s1c2ccccc2nc1c1nc2c(cc1)cccc2OCC(=O)NN1C(=O)c2ccccc2C21c1ccc(N(CC)CC)cc1Oc1cc(N(CC)CC)ccc21
• Title of publication: Cd(2+) Triggered the FRET "ON": A New Molecular Switch for the Ratiometric Detection of Cd(2+) with Live-Cell Imaging and Bound X-ray Structure.
• Authors of publication: Aich, Krishnendu; Goswami, Shyamaprosad; Das, Sangita; Mukhopadhyay, Chitrangada Das; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7309 - 7315
• a: 23.876 ± 0.005 Å
• b: 22.519 ± 0.004 Å
• c: 8.271 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4447 ± 1.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No