Information card for entry 7230128

Structure parameters

• Formula: C31 H34 N4 O2
• Calculated formula: C31 H34 N4 O2
• SMILES: O1CCOc2c(CN(CCCN(Cc3c1cccc3)Cc1ccncc1)Cc1ccncc1)cccc2
• Title of publication: Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions
• Authors of publication: Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 13
• Pages of publication: 1783
• a: 10.0288 ± 0.0003 Å
• b: 16.1383 ± 0.0005 Å
• c: 16.1962 ± 0.0005 Å
• α: 90°
• β: 90.845 ± 0.003°
• γ: 90°
• Cell volume: 2621.03 ± 0.14 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No