Information card for entry 7055927

Structure parameters

• Formula: C32 H32 Cl2 Cu3 N4 O12
• Calculated formula: C32 H32 Cl2 Cu3 N4 O12
• SMILES: c12CC[N]3=Cc4cc(C)cc5c4[O]4[Cu]3([n]1cccc2)(OCl(=O)(=O)=O)[O]1Cc2cc(cc3C=[N]6CCc7[n](cccc7)[Cu]76([O](C5)[Cu]41[O]7c23)OCl(=O)(=O)=O)C
• Title of publication: A unique cysteine selective water soluble fluorescent probe operable in multiple sensing cycles for the detection of biogenic cysteine in multicellular living species
• Authors of publication: Das, Sanju; Sarkar, Yeasmin; Majumder, Rini; Mukherjee, Santanu; Bandyopadhyay, Jaya; Ray, Ambarish; Parui, Partha Pratim
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1488
• a: 12.979 ± 0.004 Å
• b: 8.793 ± 0.002 Å
• c: 16.272 ± 0.005 Å
• α: 90°
• β: 111.842 ± 0.008°
• γ: 90°
• Cell volume: 1723.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No