Information card for entry 7021166

Structure parameters

• Formula: C25 H21 N O4
• Calculated formula: C25 H21 N O4
• SMILES: CCOC(=O)c1cc(cc(C(=O)OCC)n1)c1c2ccccc2cc2c1cccc2
• Title of publication: A new bis-tetraamine ligand with a chromophoric 4-(9-anthracenyl)-2,6-dimethylpyridinyl linker for glyphosate and ATP sensing.
• Authors of publication: Pouessel, Jacky; Abada, Sabah; Le Bris, Nathalie; Elhabiri, Mourad; Charbonnière, Loïc J; Tripier, Raphaël
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4859 - 4872
• a: 14.0913 ± 0.0017 Å
• b: 10.8393 ± 0.0009 Å
• c: 13.9585 ± 0.0015 Å
• α: 90°
• β: 110.917 ± 0.013°
• γ: 90°
• Cell volume: 1991.5 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No