Information card for entry 7153765

Structure parameters

• Formula: C44 H52 N4 O8
• Calculated formula: C44 H52 N4 O8
• SMILES: C1N(Cc2ccc(cc2)C(=O)OC)CCN(CCN(CCN(C1)Cc1ccc(cc1)C(=O)OC)Cc1ccc(cc1)C(=O)OC)Cc1ccc(cc1)C(=O)OC
• Title of publication: The water-soluble argentivorous molecule: Ag(+)-π interactions in water.
• Authors of publication: Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 25
• Pages of publication: 4265 - 4270
• a: 10.0192 ± 0.0009 Å
• b: 10.1213 ± 0.0009 Å
• c: 11.659 ± 0.0011 Å
• α: 110.849 ± 0.002°
• β: 103.926 ± 0.002°
• γ: 103.909 ± 0.002°
• Cell volume: 1000.74 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No