Information card for entry 4314626

Structure parameters

• Formula: C22 H36 N8 O9 S2 Zn
• Calculated formula: C22 H36 N8 O9 S2 Zn
• SMILES: [Zn]1234Oc5c(S(=O)(=O)N(C)C)cc(S(=O)(=O)N(C)C)c6ccc([n]4c56)CN4CC[NH]1CC[NH]2CC[NH]3CC4.O=N(=O)[O-].O
• Title of publication: Design and Synthesis of a Fluorescent Probe for Zn2+, 5,7-Bis(N,N-dimethylaminosulfonyl)-8-hydroxyquinoline-Pendant 1,4,7,10-Tetraazacyclododecane and Zn2±Dependent Hydrolytic and Zn2±Independent Photochemical Reactivation of Its Benzenesulfonyl-Caged Derivative
• Authors of publication: Ryosuke Ohshima; Masanori Kitamura; Akinori Morita; Motoo Shiro; Yasuyuki Yamada; Masahiko Ikekita; Eiichi Kimura; Shin Aoki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 888 - 899
• a: 11.602 ± 0.005 Å
• b: 13.792 ± 0.006 Å
• c: 17.941 ± 0.008 Å
• α: 90°
• β: 93.923 ± 0.003°
• γ: 90°
• Cell volume: 2864 ± 2 ų
• Cell temperature: 133.1 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 significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No