Information card for entry 4104402

Structure parameters

• Common name: ZP1_2,2-DPA-DCF
• Formula: C48 H41 Cl2 N7 O6
• Calculated formula: C48 H41 Cl2 N7 O6
• SMILES: Clc1cc2C3(OC(=O)c4c3cccc4)c3c(Oc2c(CN(Cc2ncccc2)Cc2ncccc2)c1O)c(CN(Cc1ncccc1)Cc1ncccc1)c(O)c(Cl)c3.N#CC.O
• Title of publication: Solution and Fluorescence Properties of Symmetric Dipicolylamine-Containing Dichlorofluorescein-Based Zn2+ Sensors
• Authors of publication: Brian A. Wong; Simone Friedle; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7142 - 7152
• a: 13.023 ± 0.003 Å
• b: 13.385 ± 0.004 Å
• c: 14.076 ± 0.004 Å
• α: 80.98 ± 0.004°
• β: 86.683 ± 0.004°
• γ: 61.886 ± 0.003°
• Cell volume: 2137 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No