Information card for entry 4104404

Structure parameters

• Common name: DEA-DCF
• Formula: C30 H31 Cl2 N2 O5
• Calculated formula: C30 H31 Cl2 N2 O5
• SMILES: Clc1c(O)c(CN(CC)CC)c2Oc3c(C4(OC(=O)c5c4cccc5)c2c1)cc(Cl)c(O)c3CN(CC)CC
• 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: 10.521 ± 0.002 Å
• b: 11.825 ± 0.003 Å
• c: 12.749 ± 0.003 Å
• α: 90.43 ± 0.003°
• β: 111.283 ± 0.003°
• γ: 111.419 ± 0.003°
• Cell volume: 1357.8 ± 0.5 ų
• Cell temperature: 476 ± 2 K
• Ambient diffraction temperature: 476 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No